5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one

C15H18O2 — CID 66651992

IUPAC5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
SMILESCOc1cccc2c1C1CCCCC1CC2=O
InChIInChI=1S/C15H18O2/c1-17-14-8-4-7-12-13(16)9-10-5-2-3-6-11(10)15(12)14/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyNKSAIQLKLSPUKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.56
Rot. Bonds1

About 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one

5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one (PubChem CID 66651992) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one.

Molecular Properties

Compound Name5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
PubChem CID66651992
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
SMILESCOc1cccc2c1C1CCCCC1CC2=O
InChIInChI=1S/C15H18O2/c1-17-14-8-4-7-12-13(16)9-10-5-2-3-6-11(10)15(12)14/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyNKSAIQLKLSPUKH-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
CID 82076967
8-methoxy-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
CID 66652045
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
CID 129395184
(4aS,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 56990672
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
CID 146179008
2-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one?
The IUPAC name of 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one (CID 66651992) is 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one.
What is the SMILES notation for 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one?
The canonical SMILES for 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one is COc1cccc2c1C1CCCCC1CC2=O.
What is the InChIKey of 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one?
The InChIKey is NKSAIQLKLSPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-17-14-8-4-7-12-13(16)9-10-5-2-3-6-11(10)15(12)14/h4,7-8,10-11H,2-3,5-6,9H2,1H3.
What are the key properties of 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one?
5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one has a molecular weight of 230.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one is sourced from PubChem (CID 66651992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).