2-(4-hydroxyphenyl)prop-2-enoyl chloride

C9H7ClO2 — CID 174874840

IUPAC2-(4-hydroxyphenyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccc(O)cc1
InChIInChI=1S/C9H7ClO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h2-5,11H,1H2
InChIKeyAVRSSGVJKFTGSL-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-hydroxyphenyl)prop-2-enoyl chloride

2-(4-hydroxyphenyl)prop-2-enoyl chloride (PubChem CID 174874840) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)prop-2-enoyl chloride
PubChem CID174874840
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name2-(4-hydroxyphenyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccc(O)cc1
InChIInChI=1S/C9H7ClO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h2-5,11H,1H2
InChIKeyAVRSSGVJKFTGSL-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)prop-2-enoyl chloride?
The IUPAC name of 2-(4-hydroxyphenyl)prop-2-enoyl chloride (CID 174874840) is 2-(4-hydroxyphenyl)prop-2-enoyl chloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)prop-2-enoyl chloride?
The canonical SMILES for 2-(4-hydroxyphenyl)prop-2-enoyl chloride is C=C(C(=O)Cl)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)prop-2-enoyl chloride?
The InChIKey is AVRSSGVJKFTGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h2-5,11H,1H2.
What are the key properties of 2-(4-hydroxyphenyl)prop-2-enoyl chloride?
2-(4-hydroxyphenyl)prop-2-enoyl chloride has a molecular weight of 182.61 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 174874840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).