2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol

C15H21NO — CID 52933525

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol
SMILESOc1ccccc1N1CCCC2CCCCC21
InChIInChI=1S/C15H21NO/c17-15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h3-4,9-10,12-13,17H,1-2,5-8,11H2
InChIKeyGSVFSJBIDHVUJE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.55
Rot. Bonds1

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol (PubChem CID 52933525) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol
PubChem CID52933525
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol
SMILESOc1ccccc1N1CCCC2CCCCC21
InChIInChI=1S/C15H21NO/c17-15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h3-4,9-10,12-13,17H,1-2,5-8,11H2
InChIKeyGSVFSJBIDHVUJE-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol (CID 52933525) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol is Oc1ccccc1N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol?
The InChIKey is GSVFSJBIDHVUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h3-4,9-10,12-13,17H,1-2,5-8,11H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol has a molecular weight of 231.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol is sourced from PubChem (CID 52933525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).