7-methyl-3,4-dihydro-2H-phenanthren-1-one

C15H14O — CID 10727167

IUPAC7-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCc1ccc2c3c(ccc2c1)C(=O)CCC3
InChIInChI=1S/C15H14O/c1-10-5-7-12-11(9-10)6-8-14-13(12)3-2-4-15(14)16/h5-9H,2-4H2,1H3
InChIKeyGKRSAJIPJUGTTM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.67
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-phenanthren-1-one

7-methyl-3,4-dihydro-2H-phenanthren-1-one (PubChem CID 10727167) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-phenanthren-1-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-phenanthren-1-one
PubChem CID10727167
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name7-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCc1ccc2c3c(ccc2c1)C(=O)CCC3
InChIInChI=1S/C15H14O/c1-10-5-7-12-11(9-10)6-8-14-13(12)3-2-4-15(14)16/h5-9H,2-4H2,1H3
InChIKeyGKRSAJIPJUGTTM-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-phenanthren-1-one?
The IUPAC name of 7-methyl-3,4-dihydro-2H-phenanthren-1-one (CID 10727167) is 7-methyl-3,4-dihydro-2H-phenanthren-1-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-phenanthren-1-one?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-phenanthren-1-one is Cc1ccc2c3c(ccc2c1)C(=O)CCC3.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-phenanthren-1-one?
The InChIKey is GKRSAJIPJUGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10-5-7-12-11(9-10)6-8-14-13(12)3-2-4-15(14)16/h5-9H,2-4H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-phenanthren-1-one?
7-methyl-3,4-dihydro-2H-phenanthren-1-one has a molecular weight of 210.28 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-phenanthren-1-one is sourced from PubChem (CID 10727167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).