2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride

C10H9ClO3 — CID 175204394

IUPAC2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H9ClO3/c1-6(10(11)13)7-3-4-8(12)9(5-7)14-2/h3-5,12H,1H2,2H3
InChIKeyXUCIFWISVYCPJS-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride

2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride (PubChem CID 175204394) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
PubChem CID175204394
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H9ClO3/c1-6(10(11)13)7-3-4-8(12)9(5-7)14-2/h3-5,12H,1H2,2H3
InChIKeyXUCIFWISVYCPJS-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 175467717
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
2,2,2-trideuterio-1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 170987993
(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
CID 137028253
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride (CID 175204394) is 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride is C=C(C(=O)Cl)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride?
The InChIKey is XUCIFWISVYCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-6(10(11)13)7-3-4-8(12)9(5-7)14-2/h3-5,12H,1H2,2H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride?
2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride has a molecular weight of 212.63 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 175204394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).