(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one

C21H18O — CID 19561296

IUPAC(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H18O/c1-2-16-7-9-17(10-8-16)11-14-21(22)20-13-12-18-5-3-4-6-19(18)15-20/h3-15H,2H2,1H3/b14-11+
InChIKeyIOWKPZDHHBWEJS-SDNWHVSQSA-N
MW286.37 g/mol
LogP5.30
Rot. Bonds4

About (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 19561296) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID19561296
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H18O/c1-2-16-7-9-17(10-8-16)11-14-21(22)20-13-12-18-5-3-4-6-19(18)15-20/h3-15H,2H2,1H3/b14-11+
InChIKeyIOWKPZDHHBWEJS-SDNWHVSQSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
2-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenoxy]acetate
CID 7991083
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 19561296) is (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is IOWKPZDHHBWEJS-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H18O/c1-2-16-7-9-17(10-8-16)11-14-21(22)20-13-12-18-5-3-4-6-19(18)15-20/h3-15H,2H2,1H3/b14-11+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 286.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19561296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).