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

C16H14O2 — CID 14547230

IUPAC(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
SMILESCOc1ccc(/C(=C\C=O)c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-15-9-7-14(8-10-15)16(11-12-17)13-5-3-2-4-6-13/h2-12H,1H3/b16-11-
InChIKeyZNFSEHNKPWPRLU-WJDWOHSUSA-N
MW238.29 g/mol
LogP3.33
Rot. Bonds4

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

(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal (PubChem CID 14547230) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
PubChem CID14547230
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
SMILESCOc1ccc(/C(=C\C=O)c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-15-9-7-14(8-10-15)16(11-12-17)13-5-3-2-4-6-13/h2-12H,1H3/b16-11-
InChIKeyZNFSEHNKPWPRLU-WJDWOHSUSA-N
XLogP3.33
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 ≤ 53.33
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'}

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Related Compounds

(E)-3-(4-methoxy-3-methylphenyl)-3-phenylprop-2-enal
CID 102076702
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
(E)-3-(3-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-enal
CID 146451505
(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
CID 14530924
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
CID 22828689
1-methoxy-4-[(Z)-2-(1-methoxypropan-2-yloxy)-1-phenylethenyl]benzene
CID 175230796
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal (CID 14547230) is (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal is COc1ccc(/C(=C\C=O)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal?
The InChIKey is ZNFSEHNKPWPRLU-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-15-9-7-14(8-10-15)16(11-12-17)13-5-3-2-4-6-13/h2-12H,1H3/b16-11-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal?
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal has a molecular weight of 238.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal is sourced from PubChem (CID 14547230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).