2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol

C27H30O — CID 174475982

IUPAC2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol
SMILESCC1CC(c2cccc(O)c2-c2ccccc2-c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C27H30O/c1-19-16-21(18-27(2,3)17-19)23-14-9-15-25(28)26(23)24-13-8-7-12-22(24)20-10-5-4-6-11-20/h4-15,19,21,28H,16-18H2,1-3H3
InChIKeyYZLWDWRQDVSIPC-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.66
Rot. Bonds3

About 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol

2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol (PubChem CID 174475982) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol.

Molecular Properties

Compound Name2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol
PubChem CID174475982
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol
SMILESCC1CC(c2cccc(O)c2-c2ccccc2-c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C27H30O/c1-19-16-21(18-27(2,3)17-19)23-14-9-15-25(28)26(23)24-13-8-7-12-22(24)20-10-5-4-6-11-20/h4-15,19,21,28H,16-18H2,1-3H3
InChIKeyYZLWDWRQDVSIPC-UHFFFAOYSA-N
XLogP7.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid
CID 66602392
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
4-[(1S,5S)-3,3,5-trimethylcyclohexyl]-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]phthalic acid
CID 90952057
2,2,6,6-tetramethyl-4-(2-phenylphenyl)piperidine
CID 150838395
2-hydroxybenzoic acid;3,3,5-trimethylcyclohexane-1-carbaldehyde
CID 87453061
9-methyl-9-phenylfluoren-4-ol
CID 139484121
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
3-[1-(3-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol;2-phenylbicyclo[2.2.0]hexa-1,3,5-triene
CID 174744399
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661522
3-(3-hydroxypropyl)-2-(2-phenylphenyl)phenol
CID 174428915

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol?
The IUPAC name of 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol (CID 174475982) is 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol.
What is the SMILES notation for 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol?
The canonical SMILES for 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol is CC1CC(c2cccc(O)c2-c2ccccc2-c2ccccc2)CC(C)(C)C1.
What is the InChIKey of 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol?
The InChIKey is YZLWDWRQDVSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-19-16-21(18-27(2,3)17-19)23-14-9-15-25(28)26(23)24-13-8-7-12-22(24)20-10-5-4-6-11-20/h4-15,19,21,28H,16-18H2,1-3H3.
What are the key properties of 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol?
2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol has a molecular weight of 370.54 g/mol, XLogP of 7.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol is sourced from PubChem (CID 174475982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).