1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one

C20H16O2 — CID 140808569

IUPAC1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccccc1C(=O)C=Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c1-22-20-9-5-4-8-18(20)19(21)13-11-15-10-12-16-6-2-3-7-17(16)14-15/h2-14H,1H3
InChIKeyHARGOPMCIIHOAZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.74
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one

1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 140808569) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID140808569
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccccc1C(=O)C=Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c1-22-20-9-5-4-8-18(20)19(21)13-11-15-10-12-16-6-2-3-7-17(16)14-15/h2-14H,1H3
InChIKeyHARGOPMCIIHOAZ-UHFFFAOYSA-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

1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566915
(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 89265803
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566973
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 2,6-dimethoxybenzoate
CID 20998447
(E)-1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8833056
1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 68550038
(E)-1-(2-methoxyphenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 19566910
[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] 3,4-dimethoxybenzoate
CID 7710037

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one (CID 140808569) is 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one is COc1ccccc1C(=O)C=Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is HARGOPMCIIHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-20-9-5-4-8-18(20)19(21)13-11-15-10-12-16-6-2-3-7-17(16)14-15/h2-14H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-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 1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 140808569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).