6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C19H20O2 — CID 11231328

IUPAC6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccccc1C)C2=O
InChIInChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3
InChIKeyOODKBBXINVPVST-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.99
Rot. Bonds3

About 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11231328) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11231328
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccccc1C)C2=O
InChIInChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3
InChIKeyOODKBBXINVPVST-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 11231328) is 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(Cc1ccccc1C)C2=O.
What is the InChIKey of 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OODKBBXINVPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3.
What are the key properties of 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11231328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).