4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol

C34H37FO2 — CID 58092047

IUPAC4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol
SMILESCc1ccc(C(C)(c2ccc(C(C)(C)c3ccc(O)c(F)c3)cc2)c2ccc(O)c(C)c2C)c(C)c1C
InChIInChI=1S/C34H37FO2/c1-20-9-15-28(22(3)21(20)2)34(8,29-16-18-31(36)24(5)23(29)4)26-12-10-25(11-13-26)33(6,7)27-14-17-32(37)30(35)19-27/h9-19,36-37H,1-8H3
InChIKeyNBONPFUEXIKUMR-UHFFFAOYSA-N
MW496.67 g/mol
LogP8.46
Rot. Bonds5

About 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol

4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol (PubChem CID 58092047) has the molecular formula C34H37FO2 and a molecular weight of 496.67 g/mol. Its IUPAC name is 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol
PubChem CID58092047
Molecular FormulaC34H37FO2
Molecular Weight496.67 g/mol
Exact Mass496.28
IUPAC Name4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol
SMILESCc1ccc(C(C)(c2ccc(C(C)(C)c3ccc(O)c(F)c3)cc2)c2ccc(O)c(C)c2C)c(C)c1C
InChIInChI=1S/C34H37FO2/c1-20-9-15-28(22(3)21(20)2)34(8,29-16-18-31(36)24(5)23(29)4)26-12-10-25(11-13-26)33(6,7)27-14-17-32(37)30(35)19-27/h9-19,36-37H,1-8H3
InChIKeyNBONPFUEXIKUMR-UHFFFAOYSA-N
XLogP8.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.67
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol?
The IUPAC name of 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol (CID 58092047) is 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol.
What is the SMILES notation for 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol?
The canonical SMILES for 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol is Cc1ccc(C(C)(c2ccc(C(C)(C)c3ccc(O)c(F)c3)cc2)c2ccc(O)c(C)c2C)c(C)c1C.
What is the InChIKey of 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol?
The InChIKey is NBONPFUEXIKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FO2/c1-20-9-15-28(22(3)21(20)2)34(8,29-16-18-31(36)24(5)23(29)4)26-12-10-25(11-13-26)33(6,7)27-14-17-32(37)30(35)19-27/h9-19,36-37H,1-8H3.
What are the key properties of 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol?
4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol has a molecular weight of 496.67 g/mol, XLogP of 8.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(3-fluoro-4-hydroxyphenyl)propan-2-yl]phenyl]-1-(2,3,4-trimethylphenyl)ethyl]-2,3-dimethylphenol is sourced from PubChem (CID 58092047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).