2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid

C17H10Cl2O2 — CID 79592153

IUPAC2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C17H10Cl2O2/c18-15-8-6-11(12-3-1-2-4-13(12)15)10-5-7-16(19)14(9-10)17(20)21/h1-9H,(H,20,21)
InChIKeyYDQYJAANFRGTOZ-UHFFFAOYSA-N
MW317.17 g/mol
LogP5.51
Rot. Bonds2

About 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid

2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid (PubChem CID 79592153) has the molecular formula C17H10Cl2O2 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
PubChem CID79592153
Molecular FormulaC17H10Cl2O2
Molecular Weight317.17 g/mol
Exact Mass316.01
IUPAC Name2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C17H10Cl2O2/c18-15-8-6-11(12-3-1-2-4-13(12)15)10-5-7-16(19)14(9-10)17(20)21/h1-9H,(H,20,21)
InChIKeyYDQYJAANFRGTOZ-UHFFFAOYSA-N
XLogP5.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.17
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
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4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
3-(4-chloronaphthalen-1-yl)phenanthrene
CID 177271223
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
4-(4-chloronaphthalen-1-yl)aniline
CID 79597038
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
2-chloro-4-phenylbenzoic acid
CID 21487426
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid (CID 79592153) is 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid is O=C(O)c1cc(-c2ccc(Cl)c3ccccc23)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid?
The InChIKey is YDQYJAANFRGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O2/c18-15-8-6-11(12-3-1-2-4-13(12)15)10-5-7-16(19)14(9-10)17(20)21/h1-9H,(H,20,21).
What are the key properties of 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid?
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid has a molecular weight of 317.17 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 79592153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).