2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C19H20O2 — CID 62161493

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(C)cc1CC1CCc2ccccc2C1=O
InChIInChI=1S/C19H20O2/c1-13-7-10-18(21-2)16(11-13)12-15-9-8-14-5-3-4-6-17(14)19(15)20/h3-7,10-11,15H,8-9,12H2,1-2H3
InChIKeyCGVWKUGBUGBAQT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.99
Rot. Bonds3

About 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 62161493) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID62161493
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(C)cc1CC1CCc2ccccc2C1=O
InChIInChI=1S/C19H20O2/c1-13-7-10-18(21-2)16(11-13)12-15-9-8-14-5-3-4-6-17(14)19(15)20/h3-7,10-11,15H,8-9,12H2,1-2H3
InChIKeyCGVWKUGBUGBAQT-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 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 62161493) is 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(C)cc1CC1CCc2ccccc2C1=O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CGVWKUGBUGBAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-7-10-18(21-2)16(11-13)12-15-9-8-14-5-3-4-6-17(14)19(15)20/h3-7,10-11,15H,8-9,12H2,1-2H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(2-methoxy-5-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 2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 62161493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).