4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid

C16H15ClO4 — CID 22052474

IUPAC4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
SMILESCOc1ccc(CCOc2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-10-12(16(18)19)4-7-14(15)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyGFPCZDGECGIWPM-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid

4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid (PubChem CID 22052474) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
PubChem CID22052474
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
SMILESCOc1ccc(CCOc2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-10-12(16(18)19)4-7-14(15)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyGFPCZDGECGIWPM-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzoic acid
CID 20988525
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
3-chloro-4-[2-(4-fluorophenoxy)ethoxy]benzoic acid
CID 45418727
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid?
The IUPAC name of 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid (CID 22052474) is 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid.
What is the SMILES notation for 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid?
The canonical SMILES for 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid is COc1ccc(CCOc2cc(C(=O)O)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid?
The InChIKey is GFPCZDGECGIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-10-12(16(18)19)4-7-14(15)17/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid?
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid is sourced from PubChem (CID 22052474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).