3-(4-phenoxyphenyl)prop-2-enoyl chloride

C15H11ClO2 — CID 142711517

IUPAC3-(4-phenoxyphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11ClO2/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H
InChIKeyVSBWQCUSYZJOIA-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.26
Rot. Bonds4

About 3-(4-phenoxyphenyl)prop-2-enoyl chloride

3-(4-phenoxyphenyl)prop-2-enoyl chloride (PubChem CID 142711517) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)prop-2-enoyl chloride
PubChem CID142711517
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name3-(4-phenoxyphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11ClO2/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H
InChIKeyVSBWQCUSYZJOIA-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-3-oxo-5-(4-phenoxyphenyl)pent-4-enoic acid
CID 174998337
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
CID 11501077
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-[4-[2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoyl chloride
CID 102169357
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)prop-2-enoyl chloride?
The IUPAC name of 3-(4-phenoxyphenyl)prop-2-enoyl chloride (CID 142711517) is 3-(4-phenoxyphenyl)prop-2-enoyl chloride.
What is the SMILES notation for 3-(4-phenoxyphenyl)prop-2-enoyl chloride?
The canonical SMILES for 3-(4-phenoxyphenyl)prop-2-enoyl chloride is O=C(Cl)C=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)prop-2-enoyl chloride?
The InChIKey is VSBWQCUSYZJOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 3-(4-phenoxyphenyl)prop-2-enoyl chloride?
3-(4-phenoxyphenyl)prop-2-enoyl chloride has a molecular weight of 258.70 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 142711517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).