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

C18H18O2 — CID 118052302

IUPAC6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)C(c1cccc(C)c1)CC(=O)C2
InChIInChI=1S/C18H18O2/c1-12-4-3-5-13(8-12)17-10-15(19)9-14-6-7-16(20-2)11-18(14)17/h3-8,11,17H,9-10H2,1-2H3
InChIKeyYJTCGDWLZQPVFA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.65
Rot. Bonds2

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

6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 118052302) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID118052302
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)C(c1cccc(C)c1)CC(=O)C2
InChIInChI=1S/C18H18O2/c1-12-4-3-5-13(8-12)17-10-15(19)9-14-6-7-16(20-2)11-18(14)17/h3-8,11,17H,9-10H2,1-2H3
InChIKeyYJTCGDWLZQPVFA-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one (CID 118052302) is 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one is COc1ccc2c(c1)C(c1cccc(C)c1)CC(=O)C2.
What is the InChIKey of 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is YJTCGDWLZQPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-4-3-5-13(8-12)17-10-15(19)9-14-6-7-16(20-2)11-18(14)17/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 118052302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).