(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one

C20H16O2 — CID 5351689

IUPAC(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C20H16O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-14H,1H3/b13-12+
InChIKeyIUVAYOLBKVEQQG-OUKQBFOZSA-N
MW288.35 g/mol
LogP4.74
Rot. Bonds4

About (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one

(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one (PubChem CID 5351689) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
PubChem CID5351689
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C20H16O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-14H,1H3/b13-12+
InChIKeyIUVAYOLBKVEQQG-OUKQBFOZSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.74
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

(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1-phenyl-3-(2,3,6-trihydroxy-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 174761064
(E)-3-acridin-9-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163359166
[5-acetyloxy-3-methoxy-2-methyl-4-(3-oxo-3-phenylprop-1-enyl)phenyl] acetate
CID 162843208
3-(2-methoxy-5-methylsulfonylphenyl)-1-phenylprop-2-en-1-one
CID 54356724
(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one
CID 18178426

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one (CID 5351689) is (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one is COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one?
The InChIKey is IUVAYOLBKVEQQG-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-14H,1H3/b13-12+.
What are the key properties of (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one?
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5351689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).