(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate

C17H14O4 — CID 71945324

IUPAC(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14O4/c1-20-15-7-2-13(3-8-15)6-11-17(19)21-16-9-4-14(12-18)5-10-16/h2-12H,1H3
InChIKeyYKPRUIVWQPTVGJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.13
Rot. Bonds5

About (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate

(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 71945324) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID71945324
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14O4/c1-20-15-7-2-13(3-8-15)6-11-17(19)21-16-9-4-14(12-18)5-10-16/h2-12H,1H3
InChIKeyYKPRUIVWQPTVGJ-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate (CID 71945324) is (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is YKPRUIVWQPTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-15-7-2-13(3-8-15)6-11-17(19)21-16-9-4-14(12-18)5-10-16/h2-12H,1H3.
What are the key properties of (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate?
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 282.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 71945324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).