3-chloro-4-(2-ethoxyphenoxy)benzoic acid

C15H13ClO4 — CID 63089145

IUPAC3-chloro-4-(2-ethoxyphenoxy)benzoic acid
SMILESCCOc1ccccc1Oc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H13ClO4/c1-2-19-13-5-3-4-6-14(13)20-12-8-7-10(15(17)18)9-11(12)16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyNRTJFPRYRIRZQP-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.23
Rot. Bonds5

About 3-chloro-4-(2-ethoxyphenoxy)benzoic acid

3-chloro-4-(2-ethoxyphenoxy)benzoic acid (PubChem CID 63089145) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyphenoxy)benzoic acid
PubChem CID63089145
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-chloro-4-(2-ethoxyphenoxy)benzoic acid
SMILESCCOc1ccccc1Oc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H13ClO4/c1-2-19-13-5-3-4-6-14(13)20-12-8-7-10(15(17)18)9-11(12)16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyNRTJFPRYRIRZQP-UHFFFAOYSA-N
XLogP4.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180
3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100554586
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
3-chloro-4-ethoxybenzoate
CID 6927202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyphenoxy)benzoic acid?
The IUPAC name of 3-chloro-4-(2-ethoxyphenoxy)benzoic acid (CID 63089145) is 3-chloro-4-(2-ethoxyphenoxy)benzoic acid.
What is the SMILES notation for 3-chloro-4-(2-ethoxyphenoxy)benzoic acid?
The canonical SMILES for 3-chloro-4-(2-ethoxyphenoxy)benzoic acid is CCOc1ccccc1Oc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-ethoxyphenoxy)benzoic acid?
The InChIKey is NRTJFPRYRIRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-2-19-13-5-3-4-6-14(13)20-12-8-7-10(15(17)18)9-11(12)16/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-(2-ethoxyphenoxy)benzoic acid?
3-chloro-4-(2-ethoxyphenoxy)benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyphenoxy)benzoic acid is sourced from PubChem (CID 63089145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).