3-(3-chloro-4-phenylphenyl)benzoic acid

C19H13ClO2 — CID 68550089

IUPAC3-(3-chloro-4-phenylphenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C19H13ClO2/c20-18-12-15(14-7-4-8-16(11-14)19(21)22)9-10-17(18)13-5-2-1-3-6-13/h1-12H,(H,21,22)
InChIKeyQMIXDSQAQAEZJC-UHFFFAOYSA-N
MW308.76 g/mol
LogP5.37
Rot. Bonds3

About 3-(3-chloro-4-phenylphenyl)benzoic acid

3-(3-chloro-4-phenylphenyl)benzoic acid (PubChem CID 68550089) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-phenylphenyl)benzoic acid
PubChem CID68550089
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name3-(3-chloro-4-phenylphenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C19H13ClO2/c20-18-12-15(14-7-4-8-16(11-14)19(21)22)9-10-17(18)13-5-2-1-3-6-13/h1-12H,(H,21,22)
InChIKeyQMIXDSQAQAEZJC-UHFFFAOYSA-N
XLogP5.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)benzoic acid
CID 2757419
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484300
3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylphenyl)benzoic acid?
The IUPAC name of 3-(3-chloro-4-phenylphenyl)benzoic acid (CID 68550089) is 3-(3-chloro-4-phenylphenyl)benzoic acid.
What is the SMILES notation for 3-(3-chloro-4-phenylphenyl)benzoic acid?
The canonical SMILES for 3-(3-chloro-4-phenylphenyl)benzoic acid is O=C(O)c1cccc(-c2ccc(-c3ccccc3)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-phenylphenyl)benzoic acid?
The InChIKey is QMIXDSQAQAEZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-18-12-15(14-7-4-8-16(11-14)19(21)22)9-10-17(18)13-5-2-1-3-6-13/h1-12H,(H,21,22).
What are the key properties of 3-(3-chloro-4-phenylphenyl)benzoic acid?
3-(3-chloro-4-phenylphenyl)benzoic acid has a molecular weight of 308.76 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-phenylphenyl)benzoic acid is sourced from PubChem (CID 68550089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).