4-chloro-2-(4-ethoxyphenyl)benzoic acid

C15H13ClO3 — CID 107989630

IUPAC4-chloro-2-(4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyLZNYKLASXHIAQJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.10
Rot. Bonds4

About 4-chloro-2-(4-ethoxyphenyl)benzoic acid

4-chloro-2-(4-ethoxyphenyl)benzoic acid (PubChem CID 107989630) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(4-ethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-ethoxyphenyl)benzoic acid
PubChem CID107989630
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name4-chloro-2-(4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyLZNYKLASXHIAQJ-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
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4-chloro-2-phenylbenzoic acid
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2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
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1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-ethoxy-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172717464
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
6-(4-ethoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94283856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethoxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(4-ethoxyphenyl)benzoic acid (CID 107989630) is 4-chloro-2-(4-ethoxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-ethoxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-ethoxyphenyl)benzoic acid is CCOc1ccc(-c2cc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 4-chloro-2-(4-ethoxyphenyl)benzoic acid?
The InChIKey is LZNYKLASXHIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(4-ethoxyphenyl)benzoic acid?
4-chloro-2-(4-ethoxyphenyl)benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethoxyphenyl)benzoic acid is sourced from PubChem (CID 107989630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).