4-(4-phenylphenyl)cyclohexane-1-carboxylic acid

C19H20O2 — CID 754753

IUPAC4-(4-phenylphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H20O2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,20,21)
InChIKeyLBTWQJBAENCWKC-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.71
Rot. Bonds3

About 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid

4-(4-phenylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 754753) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylphenyl)cyclohexane-1-carboxylic acid
PubChem CID754753
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-(4-phenylphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H20O2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,20,21)
InChIKeyLBTWQJBAENCWKC-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid (CID 754753) is 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LBTWQJBAENCWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,20,21).
What are the key properties of 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid?
4-(4-phenylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 754753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).