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

C16H13ClO2 — CID 86156285

IUPAC3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H13ClO2/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyKSQPDJOBAKFOQF-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.04
Rot. Bonds5

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

3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride (PubChem CID 86156285) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
PubChem CID86156285
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H13ClO2/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyKSQPDJOBAKFOQF-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.04
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

(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
(E)-3-[4-[2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoyl chloride
CID 102169357
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131847801
(1E,4Z,6E)-5-hydroxy-7-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)hepta-1,4,6-trien-3-one
CID 127027135
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
(E)-N-(diaminomethylidene)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 84549562
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
CID 127217554

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride?
The IUPAC name of 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride (CID 86156285) is 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride is O=C(Cl)C=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride?
The InChIKey is KSQPDJOBAKFOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride?
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride has a molecular weight of 272.73 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 86156285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).