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

C17H16O2 — CID 10243928

IUPAC6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)CCC(=O)C2c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-14-8-9-15-13(11-14)7-10-16(18)17(15)12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyZBVOXALBAAUHLL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.34
Rot. Bonds2

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

6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 10243928) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID10243928
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)CCC(=O)C2c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-14-8-9-15-13(11-14)7-10-16(18)17(15)12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyZBVOXALBAAUHLL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14640420
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102581392
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
6-methoxy-3-phenyl-3H-2-benzothiophen-1-one
CID 24972502
1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
CID 70167234
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
propan-2-yl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985311

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one (CID 10243928) is 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one is COc1ccc2c(c1)CCC(=O)C2c1ccccc1.
What is the InChIKey of 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is ZBVOXALBAAUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-14-8-9-15-13(11-14)7-10-16(18)17(15)12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3.
What are the key properties of 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one?
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 10243928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).