1-(4-methylcyclohexyl)-4-phenylbenzene

C19H22 — CID 18720904

IUPAC1-(4-methylcyclohexyl)-4-phenylbenzene
SMILESCC1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,11-15,17H,7-10H2,1H3
InChIKeyZDBSZEIYGNYRCE-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.65
Rot. Bonds2

About 1-(4-methylcyclohexyl)-4-phenylbenzene

1-(4-methylcyclohexyl)-4-phenylbenzene (PubChem CID 18720904) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-phenylbenzene
PubChem CID18720904
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name1-(4-methylcyclohexyl)-4-phenylbenzene
SMILESCC1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,11-15,17H,7-10H2,1H3
InChIKeyZDBSZEIYGNYRCE-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-phenylbenzene?
The IUPAC name of 1-(4-methylcyclohexyl)-4-phenylbenzene (CID 18720904) is 1-(4-methylcyclohexyl)-4-phenylbenzene.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-phenylbenzene?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-phenylbenzene is CC1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-phenylbenzene?
The InChIKey is ZDBSZEIYGNYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,11-15,17H,7-10H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-phenylbenzene?
1-(4-methylcyclohexyl)-4-phenylbenzene has a molecular weight of 250.39 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-phenylbenzene is sourced from PubChem (CID 18720904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).