3-chloro-5-(4-propoxyphenyl)benzoic acid

C16H15ClO3 — CID 107957184

IUPAC3-chloro-5-(4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cc1
InChIInChI=1S/C16H15ClO3/c1-2-7-20-15-5-3-11(4-6-15)12-8-13(16(18)19)10-14(17)9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeyFYGXKZZKABCAOG-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.49
Rot. Bonds5

About 3-chloro-5-(4-propoxyphenyl)benzoic acid

3-chloro-5-(4-propoxyphenyl)benzoic acid (PubChem CID 107957184) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-5-(4-propoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(4-propoxyphenyl)benzoic acid
PubChem CID107957184
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-chloro-5-(4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cc1
InChIInChI=1S/C16H15ClO3/c1-2-7-20-15-5-3-11(4-6-15)12-8-13(16(18)19)10-14(17)9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeyFYGXKZZKABCAOG-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
4-(4-propoxyphenyl)benzamide
CID 23771495
3-(4-hexoxyphenyl)-4-(4-octoxyphenyl)benzoic acid
CID 154106554
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
5-[5-[4-(4-methoxyphenyl)phenoxy]pentoxy]benzene-1,3-dicarboxylic acid
CID 100977518
2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
(E)-3-(4-chlorophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 67731438
4-[2-(4-nonoxyphenyl)-4-octoxyphenyl]benzoic acid
CID 67789630
3-fluoro-5-propoxybenzoic acid
CID 91636267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-propoxyphenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(4-propoxyphenyl)benzoic acid (CID 107957184) is 3-chloro-5-(4-propoxyphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(4-propoxyphenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(4-propoxyphenyl)benzoic acid is CCCOc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cc1.
What is the InChIKey of 3-chloro-5-(4-propoxyphenyl)benzoic acid?
The InChIKey is FYGXKZZKABCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-7-20-15-5-3-11(4-6-15)12-8-13(16(18)19)10-14(17)9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19).
What are the key properties of 3-chloro-5-(4-propoxyphenyl)benzoic acid?
3-chloro-5-(4-propoxyphenyl)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-propoxyphenyl)benzoic acid is sourced from PubChem (CID 107957184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).