5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one

C17H16O2 — CID 169410270

IUPAC5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc(-c2cccc3c2CCCC3=O)c1
InChIInChI=1S/C17H16O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11H,4,8,10H2,1H3
InChIKeyHUORJVXVBRBYBA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.88
Rot. Bonds2

About 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one

5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 169410270) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID169410270
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc(-c2cccc3c2CCCC3=O)c1
InChIInChI=1S/C17H16O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11H,4,8,10H2,1H3
InChIKeyHUORJVXVBRBYBA-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009055
5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410311
4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71276574
2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 18753190
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
CID 22325058
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
tris[[2,6-bis(3-methoxyphenyl)phenyl]sulfanyl]bismuthane
CID 87490956

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 169410270) is 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is COc1cccc(-c2cccc3c2CCCC3=O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HUORJVXVBRBYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-13-6-2-5-12(11-13)14-7-3-9-16-15(14)8-4-10-17(16)18/h2-3,5-7,9,11H,4,8,10H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 169410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).