4,4-bis(4-methylphenyl)cyclohexan-1-one

C20H22O — CID 58095705

IUPAC4,4-bis(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(=O)CC2)cc1
InChIInChI=1S/C20H22O/c1-15-3-7-17(8-4-15)20(13-11-19(21)12-14-20)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyVABBYBXJHCXVRR-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.73
Rot. Bonds2

About 4,4-bis(4-methylphenyl)cyclohexan-1-one

4,4-bis(4-methylphenyl)cyclohexan-1-one (PubChem CID 58095705) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4,4-bis(4-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4,4-bis(4-methylphenyl)cyclohexan-1-one
PubChem CID58095705
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name4,4-bis(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(=O)CC2)cc1
InChIInChI=1S/C20H22O/c1-15-3-7-17(8-4-15)20(13-11-19(21)12-14-20)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyVABBYBXJHCXVRR-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-methylphenyl)cyclohexan-1-one?
The IUPAC name of 4,4-bis(4-methylphenyl)cyclohexan-1-one (CID 58095705) is 4,4-bis(4-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 4,4-bis(4-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 4,4-bis(4-methylphenyl)cyclohexan-1-one is Cc1ccc(C2(c3ccc(C)cc3)CCC(=O)CC2)cc1.
What is the InChIKey of 4,4-bis(4-methylphenyl)cyclohexan-1-one?
The InChIKey is VABBYBXJHCXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-15-3-7-17(8-4-15)20(13-11-19(21)12-14-20)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 4,4-bis(4-methylphenyl)cyclohexan-1-one?
4,4-bis(4-methylphenyl)cyclohexan-1-one has a molecular weight of 278.40 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 58095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).