3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid

C16H15ClO4 — CID 53228156

IUPAC3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
SMILESCCOc1ccc(-c2cc(OC)cc(C(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H15ClO4/c1-3-21-12-4-5-14(15(17)9-12)10-6-11(16(18)19)8-13(7-10)20-2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyQITPZHSKMQKYOA-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.11
Rot. Bonds5

About 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid

3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid (PubChem CID 53228156) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
PubChem CID53228156
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
SMILESCCOc1ccc(-c2cc(OC)cc(C(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H15ClO4/c1-3-21-12-4-5-14(15(17)9-12)10-6-11(16(18)19)8-13(7-10)20-2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyQITPZHSKMQKYOA-UHFFFAOYSA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
3-(2-chloro-4-ethoxyphenyl)-4-fluorobenzoic acid
CID 53228147
6-(2-chloro-4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 156890014
2-(2-chloro-4-ethoxyphenyl)benzoic acid
CID 53218434
4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
CID 53220179
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
2-(2-chloro-4-ethoxyphenyl)-6-methylbenzoic acid
CID 53228137
3-(2-chloro-4-ethoxyphenyl)-5-hydroxybenzonitrile
CID 53220180
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82304592

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid (CID 53228156) is 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid is CCOc1ccc(-c2cc(OC)cc(C(=O)O)c2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid?
The InChIKey is QITPZHSKMQKYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-3-21-12-4-5-14(15(17)9-12)10-6-11(16(18)19)8-13(7-10)20-2/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid?
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid has a molecular weight of 306.75 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53228156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).