3-(2,5-dichlorophenyl)-4-methoxybenzoic acid

C14H10Cl2O3 — CID 54912392

IUPAC3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O3/c1-19-13-5-2-8(14(17)18)6-11(13)10-7-9(15)3-4-12(10)16/h2-7H,1H3,(H,17,18)
InChIKeyNYWBESSJQZNADV-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.37
Rot. Bonds3

About 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid

3-(2,5-dichlorophenyl)-4-methoxybenzoic acid (PubChem CID 54912392) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
PubChem CID54912392
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O3/c1-19-13-5-2-8(14(17)18)6-11(13)10-7-9(15)3-4-12(10)16/h2-7H,1H3,(H,17,18)
InChIKeyNYWBESSJQZNADV-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 39219209
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid (CID 54912392) is 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid?
The InChIKey is NYWBESSJQZNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-19-13-5-2-8(14(17)18)6-11(13)10-7-9(15)3-4-12(10)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid?
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-4-methoxybenzoic acid is sourced from PubChem (CID 54912392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).