4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol

C32H33FO — CID 71021734

IUPAC4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol
SMILESCc1cccc([C@@](C)(c2ccc(C(C)(C)c3ccc(C)c(F)c3)cc2)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C32H33FO/c1-21-8-7-9-27(18-21)32(6,28-16-17-30(34)23(3)19-28)25-14-12-24(13-15-25)31(4,5)26-11-10-22(2)29(33)20-26/h7-20,34H,1-6H3/t32-/m1/s1
InChIKeyWVDFEUVBXOQEDR-JGCGQSQUSA-N
MW452.61 g/mol
LogP8.14
Rot. Bonds5

About 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol

4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol (PubChem CID 71021734) has the molecular formula C32H33FO and a molecular weight of 452.61 g/mol. Its IUPAC name is 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol
PubChem CID71021734
Molecular FormulaC32H33FO
Molecular Weight452.61 g/mol
Exact Mass452.25
IUPAC Name4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol
SMILESCc1cccc([C@@](C)(c2ccc(C(C)(C)c3ccc(C)c(F)c3)cc2)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C32H33FO/c1-21-8-7-9-27(18-21)32(6,28-16-17-30(34)23(3)19-28)25-14-12-24(13-15-25)31(4,5)26-11-10-22(2)29(33)20-26/h7-20,34H,1-6H3/t32-/m1/s1
InChIKeyWVDFEUVBXOQEDR-JGCGQSQUSA-N
XLogP8.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-2-fluorophenol
CID 90348566
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
2-[1-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 150513820
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
[5-[2-[4-[1,1-bis[3-(dihydroxymethyl)-4-hydroxyphenyl]ethyl]phenyl]propan-2-yl]-2-hydroxyphenyl]methanediol
CID 69108103
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol?
The IUPAC name of 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol (CID 71021734) is 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol.
What is the SMILES notation for 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol?
The canonical SMILES for 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol is Cc1cccc([C@@](C)(c2ccc(C(C)(C)c3ccc(C)c(F)c3)cc2)c2ccc(O)c(C)c2)c1.
What is the InChIKey of 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol?
The InChIKey is WVDFEUVBXOQEDR-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H33FO/c1-21-8-7-9-27(18-21)32(6,28-16-17-30(34)23(3)19-28)25-14-12-24(13-15-25)31(4,5)26-11-10-22(2)29(33)20-26/h7-20,34H,1-6H3/t32-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol?
4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol has a molecular weight of 452.61 g/mol, XLogP of 8.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-[2-(3-fluoro-4-methylphenyl)propan-2-yl]phenyl]-1-(3-methylphenyl)ethyl]-2-methylphenol is sourced from PubChem (CID 71021734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).