1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene

C27H36 — CID 19990202

IUPAC1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cc2cc(C)cc(C3CCCCC3)c2)cc(C2CCCCC2)c1
InChIInChI=1S/C27H36/c1-20-13-22(18-26(15-20)24-9-5-3-6-10-24)17-23-14-21(2)16-27(19-23)25-11-7-4-8-12-25/h13-16,18-19,24-25H,3-12,17H2,1-2H3
InChIKeyPJHFJRNIFQQLPS-UHFFFAOYSA-N
MW360.59 g/mol
LogP7.99
Rot. Bonds4

About 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene

1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene (PubChem CID 19990202) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
PubChem CID19990202
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cc2cc(C)cc(C3CCCCC3)c2)cc(C2CCCCC2)c1
InChIInChI=1S/C27H36/c1-20-13-22(18-26(15-20)24-9-5-3-6-10-24)17-23-14-21(2)16-27(19-23)25-11-7-4-8-12-25/h13-16,18-19,24-25H,3-12,17H2,1-2H3
InChIKeyPJHFJRNIFQQLPS-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene?
The IUPAC name of 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene (CID 19990202) is 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene is Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2)cc(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene?
The InChIKey is PJHFJRNIFQQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-20-13-22(18-26(15-20)24-9-5-3-6-10-24)17-23-14-21(2)16-27(19-23)25-11-7-4-8-12-25/h13-16,18-19,24-25H,3-12,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene?
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene has a molecular weight of 360.59 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 19990202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).