(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

C24H22O2 — CID 151856282

IUPAC(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H22O2/c1-2-19-12-14-20(15-13-19)16-17-23(25)22-10-6-7-11-24(22)26-18-21-8-4-3-5-9-21/h3-17H,2,18H2,1H3/b17-16+
InChIKeySJTFMSMUWYQCFF-WUKNDPDISA-N
MW342.44 g/mol
LogP5.72
Rot. Bonds7

About (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 151856282) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID151856282
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H22O2/c1-2-19-12-14-20(15-13-19)16-17-23(25)22-10-6-7-11-24(22)26-18-21-8-4-3-5-9-21/h3-17H,2,18H2,1H3/b17-16+
InChIKeySJTFMSMUWYQCFF-WUKNDPDISA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
(E)-3-cyclopenta-1,3-dien-1-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 6139864
3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 2780937
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
methyl 4-[4-oxo-3-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzoate
CID 54083882
3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-3-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19567044
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566915
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (CID 151856282) is (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is SJTFMSMUWYQCFF-WUKNDPDISA-N. The full InChI is InChI=1S/C24H22O2/c1-2-19-12-14-20(15-13-19)16-17-23(25)22-10-6-7-11-24(22)26-18-21-8-4-3-5-9-21/h3-17H,2,18H2,1H3/b17-16+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 151856282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).