1-cyclohexyl-2-phenylbenzene

C18H20 — CID 19834728

IUPAC1-cyclohexyl-2-phenylbenzene
SMILESc1ccc(-c2ccccc2C2CCCCC2)cc1
InChIInChI=1S/C18H20/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2
InChIKeyGRZJZRHVJAXMRR-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.40
Rot. Bonds2

About 1-cyclohexyl-2-phenylbenzene

1-cyclohexyl-2-phenylbenzene (PubChem CID 19834728) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenylbenzene.

Molecular Properties

Compound Name1-cyclohexyl-2-phenylbenzene
PubChem CID19834728
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexyl-2-phenylbenzene
SMILESc1ccc(-c2ccccc2C2CCCCC2)cc1
InChIInChI=1S/C18H20/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2
InChIKeyGRZJZRHVJAXMRR-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-phenylbenzene?
The IUPAC name of 1-cyclohexyl-2-phenylbenzene (CID 19834728) is 1-cyclohexyl-2-phenylbenzene.
What is the SMILES notation for 1-cyclohexyl-2-phenylbenzene?
The canonical SMILES for 1-cyclohexyl-2-phenylbenzene is c1ccc(-c2ccccc2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-phenylbenzene?
The InChIKey is GRZJZRHVJAXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2.
What are the key properties of 1-cyclohexyl-2-phenylbenzene?
1-cyclohexyl-2-phenylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenylbenzene is sourced from PubChem (CID 19834728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).