4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid

C16H15ClO4 — CID 4769645

IUPAC4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-2-20-15-9-11(16(18)19)7-8-14(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeySUYBJCRUPCWYRM-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.02
Rot. Bonds6

About 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid

4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid (PubChem CID 4769645) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
PubChem CID4769645
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-2-20-15-9-11(16(18)19)7-8-14(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeySUYBJCRUPCWYRM-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzenecarbothioamide
CID 20988219
3-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-chlorobenzoic acid
CID 66542134
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4028497
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126325115
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid (CID 4769645) is 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid is CCOc1cc(C(=O)O)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid?
The InChIKey is SUYBJCRUPCWYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-2-20-15-9-11(16(18)19)7-8-14(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid?
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid has a molecular weight of 306.75 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid is sourced from PubChem (CID 4769645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).