(2-hydroxyphenyl) 4-chlorobutanoate

C10H11ClO3 — CID 69126445

IUPAC(2-hydroxyphenyl) 4-chlorobutanoate
SMILESO=C(CCCCl)Oc1ccccc1O
InChIInChI=1S/C10H11ClO3/c11-7-3-6-10(13)14-9-5-2-1-4-8(9)12/h1-2,4-5,12H,3,6-7H2
InChIKeyKOQBKAQXCCFBNQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.32
Rot. Bonds4

About (2-hydroxyphenyl) 4-chlorobutanoate

(2-hydroxyphenyl) 4-chlorobutanoate (PubChem CID 69126445) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2-hydroxyphenyl) 4-chlorobutanoate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 4-chlorobutanoate
PubChem CID69126445
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2-hydroxyphenyl) 4-chlorobutanoate
SMILESO=C(CCCCl)Oc1ccccc1O
InChIInChI=1S/C10H11ClO3/c11-7-3-6-10(13)14-9-5-2-1-4-8(9)12/h1-2,4-5,12H,3,6-7H2
InChIKeyKOQBKAQXCCFBNQ-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(6-bromohexanoyloxy)phenyl] 6-chlorohexanoate
CID 91704543
methyl 4-(2-hydroxyphenoxy)butanoate
CID 71402500
(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
CID 143527744
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
[3-(4-chlorobutanoyloxy)phenyl] 4-chlorobutanoate
CID 46863601
1-O-(6-chlorohexyl) 4-O-(2-methylphenyl) butanedioate
CID 91701906
1-O-(8-chlorooctyl) 4-O-(2-fluorophenyl) butanedioate
CID 91702085
naphthalen-2-yl 4-chlorobutanoate
CID 532367
1-O-ethyl 4-O-[5-(2-hydroxyphenoxy)-5-oxopentyl] (Z)-but-2-enedioate
CID 69126349
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
bis(2-fluorophenyl) hexanedioate
CID 91704928
[2-(5-chloropentanoyloxy)phenyl] 2,3,4-trifluorobenzoate
CID 91723500

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 4-chlorobutanoate?
The IUPAC name of (2-hydroxyphenyl) 4-chlorobutanoate (CID 69126445) is (2-hydroxyphenyl) 4-chlorobutanoate.
What is the SMILES notation for (2-hydroxyphenyl) 4-chlorobutanoate?
The canonical SMILES for (2-hydroxyphenyl) 4-chlorobutanoate is O=C(CCCCl)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 4-chlorobutanoate?
The InChIKey is KOQBKAQXCCFBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-7-3-6-10(13)14-9-5-2-1-4-8(9)12/h1-2,4-5,12H,3,6-7H2.
What are the key properties of (2-hydroxyphenyl) 4-chlorobutanoate?
(2-hydroxyphenyl) 4-chlorobutanoate has a molecular weight of 214.65 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 4-chlorobutanoate is sourced from PubChem (CID 69126445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).