2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride

C17H15ClO2 — CID 10379279

IUPAC2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1CC(O)/C=C/c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-17(20)16-9-5-4-8-14(16)12-15(19)11-10-13-6-2-1-3-7-13/h1-11,15,19H,12H2/b11-10+
InChIKeyWSKUFWSUCMROLG-ZHACJKMWSA-N
MW286.76 g/mol
LogP3.68
Rot. Bonds5

About 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride

2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride (PubChem CID 10379279) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride.

Molecular Properties

Compound Name2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride
PubChem CID10379279
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1CC(O)/C=C/c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-17(20)16-9-5-4-8-14(16)12-15(19)11-10-13-6-2-1-3-7-13/h1-11,15,19H,12H2/b11-10+
InChIKeyWSKUFWSUCMROLG-ZHACJKMWSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
3-(2-carbonochloridoylphenyl)propanoic acid
CID 45081979
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
4-[(Z)-2-phenylethenyl]benzoyl chloride
CID 12836536
2-(aminomethyl)benzoyl chloride
CID 82503183
2-(iodomethyl)benzoyl chloride
CID 89345303
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide
CID 71443805
2-(fluoromethyl)benzoyl chloride;dihydrochloride
CID 141117669

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride?
The IUPAC name of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride (CID 10379279) is 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride.
What is the SMILES notation for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride?
The canonical SMILES for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride is O=C(Cl)c1ccccc1CC(O)/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride?
The InChIKey is WSKUFWSUCMROLG-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-17(20)16-9-5-4-8-14(16)12-15(19)11-10-13-6-2-1-3-7-13/h1-11,15,19H,12H2/b11-10+.
What are the key properties of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride?
2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride has a molecular weight of 286.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]benzoyl chloride is sourced from PubChem (CID 10379279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).