3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride

C15H11ClO2 — CID 142709979

IUPAC3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccccc1-c1ccccc1O
InChIInChI=1S/C15H11ClO2/c16-15(18)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17/h1-10,17H
InChIKeyXENZEOJISMCSIU-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.84
Rot. Bonds3

About 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride

3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride (PubChem CID 142709979) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride.

Molecular Properties

Compound Name3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride
PubChem CID142709979
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccccc1-c1ccccc1O
InChIInChI=1S/C15H11ClO2/c16-15(18)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17/h1-10,17H
InChIKeyXENZEOJISMCSIU-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
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

3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride
CID 141308335
2-[(E)-3-chloro-3-oxoprop-1-enyl]benzoyl chloride
CID 131850144
3-[2-(dimethylamino)phenyl]prop-2-enoyl chloride
CID 57361561
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
3-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)prop-2-enoyl chloride
CID 131737169
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride?
The IUPAC name of 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride (CID 142709979) is 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride.
What is the SMILES notation for 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride?
The canonical SMILES for 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride is O=C(Cl)C=Cc1ccccc1-c1ccccc1O.
What is the InChIKey of 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride?
The InChIKey is XENZEOJISMCSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-15(18)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17/h1-10,17H.
What are the key properties of 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride?
3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride has a molecular weight of 258.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride is sourced from PubChem (CID 142709979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).