1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene

C20H24 — CID 19798314

IUPAC1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
SMILESCc1cccc(C2(c3cccc(C)c3)CCCCC2)c1
InChIInChI=1S/C20H24/c1-16-8-6-10-18(14-16)20(12-4-3-5-13-20)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKeyVLLCKZRVRVCQSD-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.55
Rot. Bonds2

About 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene

1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene (PubChem CID 19798314) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
PubChem CID19798314
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
SMILESCc1cccc(C2(c3cccc(C)c3)CCCCC2)c1
InChIInChI=1S/C20H24/c1-16-8-6-10-18(14-16)20(12-4-3-5-13-20)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKeyVLLCKZRVRVCQSD-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene?
The IUPAC name of 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene (CID 19798314) is 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene is Cc1cccc(C2(c3cccc(C)c3)CCCCC2)c1.
What is the InChIKey of 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene?
The InChIKey is VLLCKZRVRVCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-16-8-6-10-18(14-16)20(12-4-3-5-13-20)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene?
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 19798314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).