(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

C16H13ClO3 — CID 19167136

IUPAC(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCOc1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClO3/c1-19-13-7-9-14(10-8-13)20-16(18)11-6-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-6+
InChIKeyNXVGMVWPGARCGS-IZZDOVSWSA-N
MW288.73 g/mol
LogP3.97
Rot. Bonds4

About (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 19167136) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID19167136
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCOc1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClO3/c1-19-13-7-9-14(10-8-13)20-16(18)11-6-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-6+
InChIKeyNXVGMVWPGARCGS-IZZDOVSWSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxyphenyl cinnamate
CID 5401708
4-methylphenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
CID 797569
Phenyl 2-chlorobenzoate
CID 251433
4-Methoxyphenyl 3-phenylprop-2-ynoate
CID 13680025
Benzoic acid, 4-chloro-, 4-methoxyphenyl ester
CID 223330
4-Methoxyphenyl 6-chloro-2-oxochromene-3-carboxylate
CID 6471217
Methyl 6-[(3-chlorophenyl)methoxy]-2-oxochromene-3-carboxylate
CID 76310836
5-Chloro-2h-chromen-2-one
CID 230978
4-chlorophenyl (2E)-3-phenylprop-2-enoate
CID 732410
4-methoxyphenyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 731131
(Z)-3-[2-(3-chlorophenoxy)phenyl]-2-propenoic acid
CID 16195147
(E)-3-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enal
CID 44410859

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (CID 19167136) is (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is COc1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is NXVGMVWPGARCGS-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-13-7-9-14(10-8-13)20-16(18)11-6-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-6+.
What are the key properties of (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
(4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 288.73 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 19167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).