(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal

C16H14O2 — CID 21283706

IUPAC(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
SMILESCOc1ccc(/C(C=O)=C/c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h2-12H,1H3/b15-11+
InChIKeyQCOLOBPIQMYZLG-RVDMUPIBSA-N
MW238.29 g/mol
LogP3.43
Rot. Bonds4

About (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal

(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal (PubChem CID 21283706) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
PubChem CID21283706
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
SMILESCOc1ccc(/C(C=O)=C/c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h2-12H,1H3/b15-11+
InChIKeyQCOLOBPIQMYZLG-RVDMUPIBSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
CID 82114899
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal (CID 21283706) is (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal is COc1ccc(/C(C=O)=C/c2ccccc2)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal?
The InChIKey is QCOLOBPIQMYZLG-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h2-12H,1H3/b15-11+.
What are the key properties of (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal?
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal has a molecular weight of 238.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal is sourced from PubChem (CID 21283706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).