9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one

C16H16O2 — CID 115417405

IUPAC9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCOc1cc2c(c3ccccc13)C(C)CCC2=O
InChIInChI=1S/C16H16O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHOOJTPXFWISHBH-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.93
Rot. Bonds1

About 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one

9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one (PubChem CID 115417405) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one.

Molecular Properties

Compound Name9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
PubChem CID115417405
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCOc1cc2c(c3ccccc13)C(C)CCC2=O
InChIInChI=1S/C16H16O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHOOJTPXFWISHBH-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The IUPAC name of 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one (CID 115417405) is 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one.
What is the SMILES notation for 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The canonical SMILES for 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one is COc1cc2c(c3ccccc13)C(C)CCC2=O.
What is the InChIKey of 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The InChIKey is HOOJTPXFWISHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one is sourced from PubChem (CID 115417405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).