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

C17H16O2 — CID 56926900

IUPAC8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cccc2c1CC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17-9-5-8-14-15(10-13(18)11-16(14)17)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3
InChIKeyRQHKJSRVCJKKAH-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.34
Rot. Bonds2

About 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one

8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 56926900) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID56926900
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cccc2c1CC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17-9-5-8-14-15(10-13(18)11-16(14)17)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3
InChIKeyRQHKJSRVCJKKAH-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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one (CID 56926900) is 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one is COc1cccc2c1CC(=O)CC2c1ccccc1.
What is the InChIKey of 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is RQHKJSRVCJKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-17-9-5-8-14-15(10-13(18)11-16(14)17)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3.
What are the key properties of 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
8-methoxy-4-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 8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 56926900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).