5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

C18H18O3 — CID 23385218

IUPAC5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1c(OCc2ccccc2)ccc2c1CCCC2=O
InChIInChI=1S/C18H18O3/c1-20-18-15-8-5-9-16(19)14(15)10-11-17(18)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyKRBXOFKBWKYPSJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.79
Rot. Bonds4

About 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 23385218) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID23385218
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1c(OCc2ccccc2)ccc2c1CCCC2=O
InChIInChI=1S/C18H18O3/c1-20-18-15-8-5-9-16(19)14(15)10-11-17(18)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyKRBXOFKBWKYPSJ-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-6-phenylmethoxy-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

6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 157206888
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 122650537
6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
CID 22325058
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85439199
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 23385218) is 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is COc1c(OCc2ccccc2)ccc2c1CCCC2=O.
What is the InChIKey of 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KRBXOFKBWKYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-18-15-8-5-9-16(19)14(15)10-11-17(18)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 23385218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).