3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C19H20O3 — CID 14676205

IUPAC3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCOc1cc2c(cc1OCc1ccccc1)CCCCC2=O
InChIInChI=1S/C19H20O3/c1-21-18-12-16-15(9-5-6-10-17(16)20)11-19(18)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyLFMXGVUJZKPKPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.18
Rot. Bonds4

About 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 14676205) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID14676205
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCOc1cc2c(cc1OCc1ccccc1)CCCCC2=O
InChIInChI=1S/C19H20O3/c1-21-18-12-16-15(9-5-6-10-17(16)20)11-19(18)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyLFMXGVUJZKPKPV-UHFFFAOYSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-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-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide
CID 2752417
10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
CID 59471521
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
6-methoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride
CID 44723298
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
5-oxo-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 19841246
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 14676205) is 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is COc1cc2c(cc1OCc1ccccc1)CCCCC2=O.
What is the InChIKey of 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is LFMXGVUJZKPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-21-18-12-16-15(9-5-6-10-17(16)20)11-19(18)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3.
What are the key properties of 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 296.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 14676205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).