1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid

C17H15ClO2 — CID 65016810

IUPAC1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CC(c2ccccc2)C1
InChIInChI=1S/C17H15ClO2/c18-15-8-4-7-14(9-15)17(16(19)20)10-13(11-17)12-5-2-1-3-6-12/h1-9,13H,10-11H2,(H,19,20)
InChIKeyCRNFSKVOOHOFPH-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.24
Rot. Bonds3

About 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid

1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid (PubChem CID 65016810) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
PubChem CID65016810
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CC(c2ccccc2)C1
InChIInChI=1S/C17H15ClO2/c18-15-8-4-7-14(9-15)17(16(19)20)10-13(11-17)12-5-2-1-3-6-12/h1-9,13H,10-11H2,(H,19,20)
InChIKeyCRNFSKVOOHOFPH-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
CID 65017318
1-(3-chlorophenyl)-3-ethylcyclobutane-1-carboxylic acid
CID 65000366
1-(3-chlorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013570
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 105463774
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120743069
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid (CID 65016810) is 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2)CC(c2ccccc2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The InChIKey is CRNFSKVOOHOFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-15-8-4-7-14(9-15)17(16(19)20)10-13(11-17)12-5-2-1-3-6-12/h1-9,13H,10-11H2,(H,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65016810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).