2-(3-chloro-2-ethoxyphenyl)acetic acid

C10H11ClO3 — CID 75525846

IUPAC2-(3-chloro-2-ethoxyphenyl)acetic acid
SMILESCCOc1c(Cl)cccc1CC(=O)O
InChIInChI=1S/C10H11ClO3/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyQQBLIHKAWVVJNI-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-chloro-2-ethoxyphenyl)acetic acid

2-(3-chloro-2-ethoxyphenyl)acetic acid (PubChem CID 75525846) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)acetic acid
PubChem CID75525846
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chloro-2-ethoxyphenyl)acetic acid
SMILESCCOc1c(Cl)cccc1CC(=O)O
InChIInChI=1S/C10H11ClO3/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyQQBLIHKAWVVJNI-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
1-chloro-3-(2-ethoxy-3-methylphenyl)propan-2-one
CID 134616928
3-(N-butanoyl-2,6-dichloroanilino)propanoic acid
CID 82320751
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)acetic acid (CID 75525846) is 2-(3-chloro-2-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)acetic acid is CCOc1c(Cl)cccc1CC(=O)O.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)acetic acid?
The InChIKey is QQBLIHKAWVVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)acetic acid?
2-(3-chloro-2-ethoxyphenyl)acetic acid has a molecular weight of 214.65 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)acetic acid is sourced from PubChem (CID 75525846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).