2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one

C21H24O — CID 22915889

IUPAC2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
SMILESCCCc1ccc(-c2ccc(C3CCCCC3=O)cc2)cc1
InChIInChI=1S/C21H24O/c1-2-5-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-6-3-4-7-21(20)22/h8-15,20H,2-7H2,1H3
InChIKeyREJJRVTUFCXZSQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.53
Rot. Bonds4

About 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one

2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one (PubChem CID 22915889) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
PubChem CID22915889
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
SMILESCCCc1ccc(-c2ccc(C3CCCCC3=O)cc2)cc1
InChIInChI=1S/C21H24O/c1-2-5-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-6-3-4-7-21(20)22/h8-15,20H,2-7H2,1H3
InChIKeyREJJRVTUFCXZSQ-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one?
The IUPAC name of 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one (CID 22915889) is 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one is CCCc1ccc(-c2ccc(C3CCCCC3=O)cc2)cc1.
What is the InChIKey of 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one?
The InChIKey is REJJRVTUFCXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-2-5-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-6-3-4-7-21(20)22/h8-15,20H,2-7H2,1H3.
What are the key properties of 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one?
2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one has a molecular weight of 292.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 22915889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).