{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Thuốc Gốc
Small Molecule
CTHH: C20H24O4
PTK: 328.4022
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
328.4022
Monoisotopic mass
328.167459256
InChI
InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChI Key
InChIKey=QNAZTOHXCZPOSA-UHFFFAOYSA-N
IUPAC Name
2-(4-{[4-hydroxy-3-(propan-2-yl)phenyl]methyl}-3,5-dimethylphenoxy)acetic acid
Traditional IUPAC Name
4-[(4-hydroxy-3-isopropylphenyl)methyl]-3,5-dimethylphenoxyacetic acid
SMILES
CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1
Độ hòa tan
2.61e-03 g/l
logP
5.35
logS
-5.1
pKa (strongest acidic)
3.93
pKa (Strongest Basic)
-4.9
PSA
66.76 Å2
Refractivity
94.6 m3·mol-1
Polarizability
36.6 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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