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

C15H13ClO — CID 115417439

IUPAC9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCC1CCC(=O)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H13ClO/c1-9-6-7-14(17)12-8-13(16)10-4-2-3-5-11(10)15(9)12/h2-5,8-9H,6-7H2,1H3
InChIKeyUPXQMKGNKLILSB-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.57
Rot. Bonds

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

9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one (PubChem CID 115417439) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one.

Molecular Properties

Compound Name9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one
PubChem CID115417439
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one
SMILESCC1CCC(=O)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H13ClO/c1-9-6-7-14(17)12-8-13(16)10-4-2-3-5-11(10)15(9)12/h2-5,8-9H,6-7H2,1H3
InChIKeyUPXQMKGNKLILSB-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The IUPAC name of 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one (CID 115417439) is 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one.
What is the SMILES notation for 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The canonical SMILES for 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one is CC1CCC(=O)c2cc(Cl)c3ccccc3c21.
What is the InChIKey of 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
The InChIKey is UPXQMKGNKLILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-9-6-7-14(17)12-8-13(16)10-4-2-3-5-11(10)15(9)12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one?
9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one has a molecular weight of 244.72 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one is sourced from PubChem (CID 115417439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).