2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid

C10H11ClO3 — CID 117305915

IUPAC2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(Cl)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H11ClO3/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyMSQVJUIHONHQSQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid

2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid (PubChem CID 117305915) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
PubChem CID117305915
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(Cl)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H11ClO3/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyMSQVJUIHONHQSQ-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 117286015
2-[3-(3-chloropropanoyl)-5-ethylphenyl]-2-hydroxyacetic acid
CID 134655933
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
1-(3-chloro-5-ethylphenyl)ethanamine
CID 84659367
(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
CID 11183620
2-[3-chloro-5-(methylamino)phenyl]-2-hydroxyacetic acid;molecular iodine
CID 162022992
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
3-(3-chloro-5-ethylphenyl)-3-methylbutanoic acid
CID 117354103
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid (CID 117305915) is 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid is CCc1cc(Cl)cc(C(O)C(=O)O)c1.
What is the InChIKey of 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid?
The InChIKey is MSQVJUIHONHQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid has a molecular weight of 214.65 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117305915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).