9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one

C18H18O3 — CID 71456927

IUPAC9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one
SMILESCOc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)C=C3
InChIInChI=1S/C18H18O3/c1-10-7-13-12(8-16(10)21-4)11-5-6-17(20)18(2,3)14(11)9-15(13)19/h5-9,19H,1-4H3
InChIKeyLHHLMRGWOMWQSU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.74
Rot. Bonds1

About 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one

9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one (PubChem CID 71456927) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one.

Molecular Properties

Compound Name9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one
PubChem CID71456927
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one
SMILESCOc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)C=C3
InChIInChI=1S/C18H18O3/c1-10-7-13-12(8-16(10)21-4)11-5-6-17(20)18(2,3)14(11)9-15(13)19/h5-9,19H,1-4H3
InChIKeyLHHLMRGWOMWQSU-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-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

3,6,9-trimethoxy-1,1,7-trimethylphenanthren-2-one
CID 14731300
4-hydroxy-6-methoxy-1,7-dimethylquinolin-2-one
CID 54738968
6-hydroxy-3-(5-hydroxy-8-methoxy-3,3,7-trimethyl-2-oxocyclopenta[a]naphthalen-1-ylidene)-1,1,7-trimethylphenanthrene-2,9-dione
CID 162882617
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
(1S,4R)-1,4-dihydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalene-2,3-dione
CID 71455986
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
CID 117284468
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one?
The IUPAC name of 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one (CID 71456927) is 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one.
What is the SMILES notation for 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one?
The canonical SMILES for 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one is COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)C=C3.
What is the InChIKey of 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one?
The InChIKey is LHHLMRGWOMWQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-10-7-13-12(8-16(10)21-4)11-5-6-17(20)18(2,3)14(11)9-15(13)19/h5-9,19H,1-4H3.
What are the key properties of 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one?
9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one is sourced from PubChem (CID 71456927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).