4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one

C19H26O — CID 53445363

IUPAC4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one
SMILESCc1ccccc1C1CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H26O/c1-14-4-2-3-5-19(14)17-8-6-15(7-9-17)16-10-12-18(20)13-11-16/h2-5,15-17H,6-13H2,1H3
InChIKeyQPOHGZYIBCQMNC-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.03
Rot. Bonds2

About 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one

4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one (PubChem CID 53445363) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one
PubChem CID53445363
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one
SMILESCc1ccccc1C1CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H26O/c1-14-4-2-3-5-19(14)17-8-6-15(7-9-17)16-10-12-18(20)13-11-16/h2-5,15-17H,6-13H2,1H3
InChIKeyQPOHGZYIBCQMNC-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one?
The IUPAC name of 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one (CID 53445363) is 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one is Cc1ccccc1C1CCC(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one?
The InChIKey is QPOHGZYIBCQMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-14-4-2-3-5-19(14)17-8-6-15(7-9-17)16-10-12-18(20)13-11-16/h2-5,15-17H,6-13H2,1H3.
What are the key properties of 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one?
4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 53445363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).