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

C18H20O — CID 165353212

IUPAC1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one
SMILESCC(C)c1ccc2c3c(ccc2c1)C(C)CCC3=O
InChIInChI=1S/C18H20O/c1-11(2)13-5-8-16-14(10-13)6-7-15-12(3)4-9-17(19)18(15)16/h5-8,10-12H,4,9H2,1-3H3
InChIKeyBIZVPRBQYMKZQM-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.04
Rot. Bonds1

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

1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one (PubChem CID 165353212) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one
PubChem CID165353212
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one
SMILESCC(C)c1ccc2c3c(ccc2c1)C(C)CCC3=O
InChIInChI=1S/C18H20O/c1-11(2)13-5-8-16-14(10-13)6-7-15-12(3)4-9-17(19)18(15)16/h5-8,10-12H,4,9H2,1-3H3
InChIKeyBIZVPRBQYMKZQM-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one?
The IUPAC name of 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one (CID 165353212) is 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one.
What is the SMILES notation for 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one?
The canonical SMILES for 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one is CC(C)c1ccc2c3c(ccc2c1)C(C)CCC3=O.
What is the InChIKey of 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one?
The InChIKey is BIZVPRBQYMKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11(2)13-5-8-16-14(10-13)6-7-15-12(3)4-9-17(19)18(15)16/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one?
1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one has a molecular weight of 252.36 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-2,3-dihydro-1H-phenanthren-4-one is sourced from PubChem (CID 165353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).