3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol

C16H17NO2 — CID 25027907

IUPAC3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol
SMILESCN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C16H17NO2/c1-17-10-13(11-2-5-14(18)6-3-11)8-12-4-7-15(19)9-16(12)17/h2-7,9,13,18-19H,8,10H2,1H3
InChIKeyLUFRGFLTIGIXEQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds1

About 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol

3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol (PubChem CID 25027907) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol
PubChem CID25027907
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol
SMILESCN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C16H17NO2/c1-17-10-13(11-2-5-14(18)6-3-11)8-12-4-7-15(19)9-16(12)17/h2-7,9,13,18-19H,8,10H2,1H3
InChIKeyLUFRGFLTIGIXEQ-UHFFFAOYSA-N
XLogP2.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
3-Dimethylamino-4-methylphenol
CID 8389
8-Hydroxyjulolidine
CID 170474
1-(4-Fluorophenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3024714
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
1,1,7,7-Tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-8-ol
CID 873610
2-(3-Hydroxyphenyl)-1-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11201600
2-(3-Hydroxyphenyl)-1-[4-(1-methylpiperidin-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11338969
1-[4-(4-Cyclopentylpiperazin-1-yl)phenyl]-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11351870
1-[4-(1-Methylpiperidin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11361524
2-(3-Hydroxyphenyl)-1-{4-[4-(2-methylpropyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11385564
1-[4-(4-Cyclohexylpiperazin-1-yl)phenyl]-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11431657

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol (CID 25027907) is 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol is CN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol?
The InChIKey is LUFRGFLTIGIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-10-13(11-2-5-14(18)6-3-11)8-12-4-7-15(19)9-16(12)17/h2-7,9,13,18-19H,8,10H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol?
3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol has a molecular weight of 255.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-7-ol is sourced from PubChem (CID 25027907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).