(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal

C17H16O2 — CID 94269992

IUPAC(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
SMILESCCOc1ccccc1/C=C(/C=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)12-16(13-18)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b16-12-
InChIKeyUEPIZCXFQCRQCD-VBKFSLOCSA-N
MW252.31 g/mol
LogP3.82
Rot. Bonds5

About (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal

(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal (PubChem CID 94269992) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
PubChem CID94269992
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
SMILESCCOc1ccccc1/C=C(/C=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)12-16(13-18)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b16-12-
InChIKeyUEPIZCXFQCRQCD-VBKFSLOCSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.82
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

2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
1-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene
CID 79324457
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
N,N'-dibenzyl-2-[(2-ethoxyphenyl)methylidene]propanediamide
CID 7966894
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177
2-phenylhex-2-enal
CID 3023641
diethyl 2-[(2-ethoxyphenyl)methylidene]butanedioate
CID 176898227
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
propan-2-yl 2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 3388986

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal (CID 94269992) is (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal is CCOc1ccccc1/C=C(/C=O)c1ccccc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal?
The InChIKey is UEPIZCXFQCRQCD-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)12-16(13-18)14-8-4-3-5-9-14/h3-13H,2H2,1H3/b16-12-.
What are the key properties of (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal?
(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal has a molecular weight of 252.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal is sourced from PubChem (CID 94269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).