1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

C16H23NO — CID 608837

IUPAC1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCN1CCC(O)(c2ccccc2)C2CCCCC21
InChIInChI=1S/C16H23NO/c1-17-12-11-16(18,13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-4,7-8,14-15,18H,5-6,9-12H2,1H3
InChIKeyKKGRMEVELZFAQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.77
Rot. Bonds1

About 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (PubChem CID 608837) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.

Molecular Properties

Compound Name1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
PubChem CID608837
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCN1CCC(O)(c2ccccc2)C2CCCCC21
InChIInChI=1S/C16H23NO/c1-17-12-11-16(18,13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-4,7-8,14-15,18H,5-6,9-12H2,1H3
InChIKeyKKGRMEVELZFAQV-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The IUPAC name of 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (CID 608837) is 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.
What is the SMILES notation for 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The canonical SMILES for 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is CN1CCC(O)(c2ccccc2)C2CCCCC21.
What is the InChIKey of 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The InChIKey is KKGRMEVELZFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-12-11-16(18,13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-4,7-8,14-15,18H,5-6,9-12H2,1H3.
What are the key properties of 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol has a molecular weight of 245.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is sourced from PubChem (CID 608837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).