4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol

C18H20N2O3 — CID 831300

IUPAC4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)ccc1O
InChIInChI=1S/C18H20N2O3/c1-18(2)16(12-7-5-4-6-8-12)19-17(20(18)22)13-9-10-14(21)15(11-13)23-3/h4-11,17,21-22H,1-3H3/t17-/m0/s1
InChIKeyFYFPUBZXCIAQIS-KRWDZBQOSA-N
MW312.37 g/mol
LogP3.37
Rot. Bonds3

About 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol

4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol (PubChem CID 831300) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol
PubChem CID831300
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)ccc1O
InChIInChI=1S/C18H20N2O3/c1-18(2)16(12-7-5-4-6-8-12)19-17(20(18)22)13-9-10-14(21)15(11-13)23-3/h4-11,17,21-22H,1-3H3/t17-/m0/s1
InChIKeyFYFPUBZXCIAQIS-KRWDZBQOSA-N
XLogP3.37
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 2842353
[(2S)-2-(3,4-dimethoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
CID 1124736
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
CID 67121528
1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 93065220
5-butyl-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-3-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 56959193
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
3-(4-benzoylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10573347
4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
CID 10804094
2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
CID 134866971
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol (CID 831300) is 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol is COc1cc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)ccc1O.
What is the InChIKey of 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol?
The InChIKey is FYFPUBZXCIAQIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2)16(12-7-5-4-6-8-12)19-17(20(18)22)13-9-10-14(21)15(11-13)23-3/h4-11,17,21-22H,1-3H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol?
4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol has a molecular weight of 312.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 831300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).