1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene

C18H28 — CID 174725308

IUPAC1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
SMILESCC(C)c1cccc(C2CCCC(C(C)C)C2)c1
InChIInChI=1S/C18H28/c1-13(2)15-7-5-9-17(11-15)18-10-6-8-16(12-18)14(3)4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3
InChIKeyGYCFRLHISFSVQM-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.74
Rot. Bonds3

About 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene

1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene (PubChem CID 174725308) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
PubChem CID174725308
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
SMILESCC(C)c1cccc(C2CCCC(C(C)C)C2)c1
InChIInChI=1S/C18H28/c1-13(2)15-7-5-9-17(11-15)18-10-6-8-16(12-18)14(3)4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3
InChIKeyGYCFRLHISFSVQM-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1,1-difluoroethyl)-3-[(1S)-3-propan-2-ylcyclohexyl]benzene
CID 163547034
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
4-(3-propan-2-ylcyclohexyl)phenol
CID 139438359
1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopentane;1,3-di(propan-2-yl)cyclopentane;methane
CID 162269177
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
CID 91106019
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene?
The IUPAC name of 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene (CID 174725308) is 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene is CC(C)c1cccc(C2CCCC(C(C)C)C2)c1.
What is the InChIKey of 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene?
The InChIKey is GYCFRLHISFSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-13(2)15-7-5-9-17(11-15)18-10-6-8-16(12-18)14(3)4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene?
1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 174725308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).