4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

C18H17NO — CID 17236411

IUPAC4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
SMILESOc1ccc(C2Nc3ccccc3C3C=CCC32)cc1
InChIInChI=1S/C18H17NO/c20-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)19-18/h1-5,7-11,14,16,18-20H,6H2
InChIKeyAJPFRSIRAVIPDV-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.22
Rot. Bonds1

About 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (PubChem CID 17236411) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.

Molecular Properties

Compound Name4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
PubChem CID17236411
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
SMILESOc1ccc(C2Nc3ccccc3C3C=CCC32)cc1
InChIInChI=1S/C18H17NO/c20-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)19-18/h1-5,7-11,14,16,18-20H,6H2
InChIKeyAJPFRSIRAVIPDV-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?
The IUPAC name of 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (CID 17236411) is 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.
What is the SMILES notation for 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?
The canonical SMILES for 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is Oc1ccc(C2Nc3ccccc3C3C=CCC32)cc1.
What is the InChIKey of 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?
The InChIKey is AJPFRSIRAVIPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)19-18/h1-5,7-11,14,16,18-20H,6H2.
What are the key properties of 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?
4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol has a molecular weight of 263.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is sourced from PubChem (CID 17236411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).