2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol

C27H23FO4 — CID 23538563

IUPAC2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
SMILESCOc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O
InChIInChI=1S/C27H23FO4/c1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h3-15,29-30H,16H2,1-2H3
InChIKeyBEXABWJTHQFSCA-UHFFFAOYSA-N
MW430.48 g/mol
LogP6.47
Rot. Bonds6

About 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol

2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol (PubChem CID 23538563) has the molecular formula C27H23FO4 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
PubChem CID23538563
Molecular FormulaC27H23FO4
Molecular Weight430.48 g/mol
Exact Mass430.16
IUPAC Name2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
SMILESCOc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O
InChIInChI=1S/C27H23FO4/c1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h3-15,29-30H,16H2,1-2H3
InChIKeyBEXABWJTHQFSCA-UHFFFAOYSA-N
XLogP6.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid
CID 23538369
2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
2-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-5-(4-hydroxyphenyl)-3,6-dimethylphenol
CID 23538481
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538420
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-nitrophenyl)phenol
CID 23538576
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-5-methoxy-2-(methoxymethoxy)-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate
CID 23538555
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
CID 23539221

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol?
The IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol (CID 23538563) is 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol?
The canonical SMILES for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol is COc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O.
What is the InChIKey of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol?
The InChIKey is BEXABWJTHQFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FO4/c1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h3-15,29-30H,16H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol?
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol has a molecular weight of 430.48 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol is sourced from PubChem (CID 23538563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).