(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal

C17H16O2 — CID 102460095

IUPAC(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
SMILESCOc1ccc(/C(C=O)=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O2/c1-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(19-2)10-8-15/h3-12H,1-2H3/b16-11-
InChIKeyUCMATSYYGWENGI-WJDWOHSUSA-N
MW252.31 g/mol
LogP3.74
Rot. Bonds4

About (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal

(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal (PubChem CID 102460095) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
PubChem CID102460095
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
SMILESCOc1ccc(/C(C=O)=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O2/c1-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(19-2)10-8-15/h3-12H,1-2H3/b16-11-
InChIKeyUCMATSYYGWENGI-WJDWOHSUSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.74
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

(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
2,3-bis(4-hydroxyphenyl)prop-2-enal
CID 173418235
(E)-2-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)-3-oxoprop-1-enoxy]prop-2-enal
CID 102251676
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal?
The IUPAC name of (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal (CID 102460095) is (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal?
The canonical SMILES for (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal is COc1ccc(/C(C=O)=C\c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal?
The InChIKey is UCMATSYYGWENGI-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16O2/c1-13-3-5-14(6-4-13)11-16(12-18)15-7-9-17(19-2)10-8-15/h3-12H,1-2H3/b16-11-.
What are the key properties of (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal?
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal has a molecular weight of 252.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal is sourced from PubChem (CID 102460095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).