2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol

C23H25NO — CID 163918653

IUPAC2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol
SMILESCCC1(CC)Cc2ccccc2C2C=CC(c3ccccc3O)=CN21
InChIInChI=1S/C23H25NO/c1-3-23(4-2)15-17-9-5-6-10-19(17)21-14-13-18(16-24(21)23)20-11-7-8-12-22(20)25/h5-14,16,21,25H,3-4,15H2,1-2H3
InChIKeyQYMPIRKEDLWHOU-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.46
Rot. Bonds3

About 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol

2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol (PubChem CID 163918653) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol.

Molecular Properties

Compound Name2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol
PubChem CID163918653
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol
SMILESCCC1(CC)Cc2ccccc2C2C=CC(c3ccccc3O)=CN21
InChIInChI=1S/C23H25NO/c1-3-23(4-2)15-17-9-5-6-10-19(17)21-14-13-18(16-24(21)23)20-11-7-8-12-22(20)25/h5-14,16,21,25H,3-4,15H2,1-2H3
InChIKeyQYMPIRKEDLWHOU-UHFFFAOYSA-N
XLogP5.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
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12,12-diethyl-8,11-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,9,15(19),16-heptaene
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1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 89278768
2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
1-amino-2-hexyl-1,3-dihydroinden-2-ol
CID 118588844
2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid
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2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol?
The IUPAC name of 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol (CID 163918653) is 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol.
What is the SMILES notation for 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol?
The canonical SMILES for 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol is CCC1(CC)Cc2ccccc2C2C=CC(c3ccccc3O)=CN21.
What is the InChIKey of 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol?
The InChIKey is QYMPIRKEDLWHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-3-23(4-2)15-17-9-5-6-10-19(17)21-14-13-18(16-24(21)23)20-11-7-8-12-22(20)25/h5-14,16,21,25H,3-4,15H2,1-2H3.
What are the key properties of 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol?
2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol has a molecular weight of 331.46 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-diethyl-7,11b-dihydrobenzo[a]quinolizin-3-yl)phenol is sourced from PubChem (CID 163918653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).