1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde

C20H22O — CID 155662947

IUPAC1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
SMILESCc1ccc(-c2ccccc2)c(C2(C=O)CCCCC2)c1
InChIInChI=1S/C20H22O/c1-16-10-11-18(17-8-4-2-5-9-17)19(14-16)20(15-21)12-6-3-7-13-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyUWFYEPDONAFFQC-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.06
Rot. Bonds3

About 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde

1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde (PubChem CID 155662947) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
PubChem CID155662947
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
SMILESCc1ccc(-c2ccccc2)c(C2(C=O)CCCCC2)c1
InChIInChI=1S/C20H22O/c1-16-10-11-18(17-8-4-2-5-9-17)19(14-16)20(15-21)12-6-3-7-13-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyUWFYEPDONAFFQC-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde (CID 155662947) is 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde is Cc1ccc(-c2ccccc2)c(C2(C=O)CCCCC2)c1.
What is the InChIKey of 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde?
The InChIKey is UWFYEPDONAFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-16-10-11-18(17-8-4-2-5-9-17)19(14-16)20(15-21)12-6-3-7-13-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3.
What are the key properties of 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde?
1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde has a molecular weight of 278.40 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 155662947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).