1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene

C25H34 — CID 145116245

IUPAC1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene
SMILESCC(C)C[C@@H](c1ccc(-c2ccccc2)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C25H34/c1-19(2)18-24(23-14-16-25(3,4)17-15-23)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-13,19,23-24H,14-18H2,1-4H3/t24-/m0/s1
InChIKeyRPMHRQPZORCJFK-DEOSSOPVSA-N
MW334.55 g/mol
LogP7.70
Rot. Bonds5

About 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene

1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene (PubChem CID 145116245) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene
PubChem CID145116245
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene
SMILESCC(C)C[C@@H](c1ccc(-c2ccccc2)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C25H34/c1-19(2)18-24(23-14-16-25(3,4)17-15-23)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-13,19,23-24H,14-18H2,1-4H3/t24-/m0/s1
InChIKeyRPMHRQPZORCJFK-DEOSSOPVSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
CID 145116259
(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine
CID 121454594
[1-fluoro-4-(1-phenylbutyl)cyclohexyl]phosphane
CID 156542653
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
2-cyclopropyl-N-methyl-1-(4-phenylphenyl)propan-1-amine
CID 83154674
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene?
The IUPAC name of 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene (CID 145116245) is 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene?
The canonical SMILES for 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene is CC(C)C[C@@H](c1ccc(-c2ccccc2)cc1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene?
The InChIKey is RPMHRQPZORCJFK-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H34/c1-19(2)18-24(23-14-16-25(3,4)17-15-23)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-13,19,23-24H,14-18H2,1-4H3/t24-/m0/s1.
What are the key properties of 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene?
1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene has a molecular weight of 334.55 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene is sourced from PubChem (CID 145116245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).