3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol

C11H15NO — CID 84717906

IUPAC3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol
SMILESCC1(C)CNc2c(O)cccc2C1
InChIInChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(13)10(8)12-7-11/h3-5,12-13H,6-7H2,1-2H3
InChIKeyKKFOAGCNBDBDDD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.39
Rot. Bonds

About 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol

3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol (PubChem CID 84717906) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol
PubChem CID84717906
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol
SMILESCC1(C)CNc2c(O)cccc2C1
InChIInChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(13)10(8)12-7-11/h3-5,12-13H,6-7H2,1-2H3
InChIKeyKKFOAGCNBDBDDD-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
6-hydroxy-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098425
spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol
CID 115096997
6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
2-(3,3-dimethyl-8-sulfo-2,4-dihydro-1H-quinolin-6-yl)acetic acid
CID 54014388
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol (CID 84717906) is 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol is CC1(C)CNc2c(O)cccc2C1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol?
The InChIKey is KKFOAGCNBDBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(13)10(8)12-7-11/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol?
3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol has a molecular weight of 177.25 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 84717906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).