[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate

C15H11ClO4 — CID 57324725

IUPAC[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClO4/c1-9(17)20-12-6-7-13(14(16)8-12)15(19)10-2-4-11(18)5-3-10/h2-8,18H,1H3
InChIKeySQEBQICDASBARU-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.20
Rot. Bonds3

About [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate

[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate (PubChem CID 57324725) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
PubChem CID57324725
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClO4/c1-9(17)20-12-6-7-13(14(16)8-12)15(19)10-2-4-11(18)5-3-10/h2-8,18H,1H3
InChIKeySQEBQICDASBARU-UHFFFAOYSA-N
XLogP3.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
CID 58982807
(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 12585195
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] acetate
CID 71316043
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate?
The IUPAC name of [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate (CID 57324725) is [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate.
What is the SMILES notation for [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate?
The canonical SMILES for [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)c2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate?
The InChIKey is SQEBQICDASBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-9(17)20-12-6-7-13(14(16)8-12)15(19)10-2-4-11(18)5-3-10/h2-8,18H,1H3.
What are the key properties of [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate?
[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate has a molecular weight of 290.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate is sourced from PubChem (CID 57324725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).