2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride

C15H11ClO4 — CID 19380030

IUPAC2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
SMILESO=C(Cl)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H11ClO4/c16-14(18)9-20-11-6-7-12(13(17)8-11)15(19)10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyFHYCPDPIUZCFCZ-UHFFFAOYSA-N
MW290.70 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride

2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride (PubChem CID 19380030) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
PubChem CID19380030
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
SMILESO=C(Cl)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H11ClO4/c16-14(18)9-20-11-6-7-12(13(17)8-11)15(19)10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyFHYCPDPIUZCFCZ-UHFFFAOYSA-N
XLogP2.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzoyl-3-hydroxyphenoxy)-N'-phenylacetohydrazide
CID 19995116
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
CID 172864174
CID 172864174
CID 175499515
CID 175499515

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride?
The IUPAC name of 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride (CID 19380030) is 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride.
What is the SMILES notation for 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride?
The canonical SMILES for 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride is O=C(Cl)COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride?
The InChIKey is FHYCPDPIUZCFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c16-14(18)9-20-11-6-7-12(13(17)8-11)15(19)10-4-2-1-3-5-10/h1-8,17H,9H2.
What are the key properties of 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride?
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride has a molecular weight of 290.70 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride is sourced from PubChem (CID 19380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).