(3-chlorophenyl) 2-hydroxyacetate

C8H7ClO3 — CID 130620336

IUPAC(3-chlorophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1cccc(Cl)c1
InChIInChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4,10H,5H2
InChIKeyARGMNIWVRLNINB-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.24
Rot. Bonds2

About (3-chlorophenyl) 2-hydroxyacetate

(3-chlorophenyl) 2-hydroxyacetate (PubChem CID 130620336) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is (3-chlorophenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(3-chlorophenyl) 2-hydroxyacetate
PubChem CID130620336
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name(3-chlorophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1cccc(Cl)c1
InChIInChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4,10H,5H2
InChIKeyARGMNIWVRLNINB-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 5-hydroxypentanoate
CID 174546388
(3-chlorophenyl) 3-chloro-3-methylbutanoate
CID 15188066
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
CID 144993627
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
1-O-(3-chlorophenyl) 5-O-naphthalen-2-yl pentanedioate
CID 91718930
4-O-(3-chlorophenyl) 1-O-(2,2-dichloroethyl) butanedioate
CID 91701518
(3-chlorophenyl) prop-2-enoate
CID 10241458
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
propyl 2-[2-(3-chlorophenoxy)-2-oxoethoxy]acetate
CID 91699344

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 2-hydroxyacetate?
The IUPAC name of (3-chlorophenyl) 2-hydroxyacetate (CID 130620336) is (3-chlorophenyl) 2-hydroxyacetate.
What is the SMILES notation for (3-chlorophenyl) 2-hydroxyacetate?
The canonical SMILES for (3-chlorophenyl) 2-hydroxyacetate is O=C(CO)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) 2-hydroxyacetate?
The InChIKey is ARGMNIWVRLNINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4,10H,5H2.
What are the key properties of (3-chlorophenyl) 2-hydroxyacetate?
(3-chlorophenyl) 2-hydroxyacetate has a molecular weight of 186.59 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 2-hydroxyacetate is sourced from PubChem (CID 130620336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).