4-chloro-3-(4-propan-2-ylphenyl)benzoic acid

C16H15ClO2 — CID 82124138

IUPAC4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-10(2)11-3-5-12(6-4-11)14-9-13(16(18)19)7-8-15(14)17/h3-10H,1-2H3,(H,18,19)
InChIKeyFDKZFPFDRKTCGL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.83
Rot. Bonds3

About 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid

4-chloro-3-(4-propan-2-ylphenyl)benzoic acid (PubChem CID 82124138) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
PubChem CID82124138
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-10(2)11-3-5-12(6-4-11)14-9-13(16(18)19)7-8-15(14)17/h3-10H,1-2H3,(H,18,19)
InChIKeyFDKZFPFDRKTCGL-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
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4-chloro-3-(4-methylsulfinylphenyl)benzoic acid
CID 68553754
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
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4-chloro-3-[4-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 107990138
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
4-(2-chloro-5-methoxyphenyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid?
The IUPAC name of 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid (CID 82124138) is 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid is CC(C)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid?
The InChIKey is FDKZFPFDRKTCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10(2)11-3-5-12(6-4-11)14-9-13(16(18)19)7-8-15(14)17/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid?
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid has a molecular weight of 274.75 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-propan-2-ylphenyl)benzoic acid is sourced from PubChem (CID 82124138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).