5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol

C21H23NO2 — CID 17237725

IUPAC5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Nc3cc(C)cc(C)c3C3C=CCC32)cc1O
InChIInChI=1S/C21H23NO2/c1-12-9-13(2)20-15-5-4-6-16(15)21(22-17(20)10-12)14-7-8-19(24-3)18(23)11-14/h4-5,7-11,15-16,21-23H,6H2,1-3H3
InChIKeyASXZTKDCKAIUHB-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.84
Rot. Bonds2

About 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol

5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol (PubChem CID 17237725) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
PubChem CID17237725
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Nc3cc(C)cc(C)c3C3C=CCC32)cc1O
InChIInChI=1S/C21H23NO2/c1-12-9-13(2)20-15-5-4-6-16(15)21(22-17(20)10-12)14-7-8-19(24-3)18(23)11-14/h4-5,7-11,15-16,21-23H,6H2,1-3H3
InChIKeyASXZTKDCKAIUHB-UHFFFAOYSA-N
XLogP4.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
CID 17238215
2-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-6-methoxyphenol
CID 17238384
7,9-dimethyl-4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244357
5-(8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
CID 17237717
4-[(3aR,4R,9bS)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 11879959
4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline
CID 17237218
4-(3-chlorophenyl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17238547
4-(6,8-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol
CID 17238197
4-(3-hydroxy-4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17237716
7,9-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2869459
5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol
CID 17237706
4-(3-hydroxy-4-methoxyphenyl)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
CID 17237733

Frequently Asked Questions

What is the IUPAC name of 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol?
The IUPAC name of 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol (CID 17237725) is 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol?
The canonical SMILES for 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol is COc1ccc(C2Nc3cc(C)cc(C)c3C3C=CCC32)cc1O.
What is the InChIKey of 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol?
The InChIKey is ASXZTKDCKAIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-12-9-13(2)20-15-5-4-6-16(15)21(22-17(20)10-12)14-7-8-19(24-3)18(23)11-14/h4-5,7-11,15-16,21-23H,6H2,1-3H3.
What are the key properties of 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol?
5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol has a molecular weight of 321.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenol is sourced from PubChem (CID 17237725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).