2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid

C12H13ClO4 — CID 117394961

IUPAC2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Cl)c(OC2CC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C12H13ClO4/c1-6-4-8(10(14)12(15)16)11(9(13)5-6)17-7-2-3-7/h4-5,7,10,14H,2-3H2,1H3,(H,15,16)
InChIKeyGFUBNZOURUSMSP-UHFFFAOYSA-N
MW256.68 g/mol
LogP2.31
Rot. Bonds4

About 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid

2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117394961) has the molecular formula C12H13ClO4 and a molecular weight of 256.68 g/mol. Its IUPAC name is 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid
PubChem CID117394961
Molecular FormulaC12H13ClO4
Molecular Weight256.68 g/mol
Exact Mass256.05
IUPAC Name2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Cl)c(OC2CC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C12H13ClO4/c1-6-4-8(10(14)12(15)16)11(9(13)5-6)17-7-2-3-7/h4-5,7,10,14H,2-3H2,1H3,(H,15,16)
InChIKeyGFUBNZOURUSMSP-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117387789
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
CID 116857475
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
CID 176855083
1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117403462
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
CID 117436914

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid (CID 117394961) is 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid is Cc1cc(Cl)c(OC2CC2)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is GFUBNZOURUSMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO4/c1-6-4-8(10(14)12(15)16)11(9(13)5-6)17-7-2-3-7/h4-5,7,10,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 256.68 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117394961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).