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

C16H20O2 — CID 135041499

IUPAC8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
SMILESCOc1cccc2c1CCC1C(C)C(=O)CCC21
InChIInChI=1S/C16H20O2/c1-10-11-6-7-14-12(4-3-5-16(14)18-2)13(11)8-9-15(10)17/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyVMCWAYUZACNJLU-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.34
Rot. Bonds1

About 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one

8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one (PubChem CID 135041499) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one.

Molecular Properties

Compound Name8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
PubChem CID135041499
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
SMILESCOc1cccc2c1CCC1C(C)C(=O)CCC21
InChIInChI=1S/C16H20O2/c1-10-11-6-7-14-12(4-3-5-16(14)18-2)13(11)8-9-15(10)17/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyVMCWAYUZACNJLU-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 82811035
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CID 115057140
5-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058079
(3aS,9bS)-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-2-ium chloride
CID 10847615
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
(3aS,9bS)-6-methoxy-1,1,3-trimethyl-3a,4,5,9b-tetrahydrobenzo[e]indol-2-one
CID 10730003
[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
CID 56927818
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
CID 90201598
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
S-methyl 5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbothioate
CID 12541345
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one?
The IUPAC name of 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one (CID 135041499) is 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one.
What is the SMILES notation for 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one?
The canonical SMILES for 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one is COc1cccc2c1CCC1C(C)C(=O)CCC21.
What is the InChIKey of 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one?
The InChIKey is VMCWAYUZACNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-11-6-7-14-12(4-3-5-16(14)18-2)13(11)8-9-15(10)17/h3-5,10-11,13H,6-9H2,1-2H3.
What are the key properties of 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one?
8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one has a molecular weight of 244.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one is sourced from PubChem (CID 135041499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).