2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol

C17H19NO2 — CID 82975068

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
SMILESCOc1ccc(CN2CCCc3ccccc32)c(O)c1
InChIInChI=1S/C17H19NO2/c1-20-15-9-8-14(17(19)11-15)12-18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyXDWWHXDPOFOVAD-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.35
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol (PubChem CID 82975068) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
PubChem CID82975068
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
SMILESCOc1ccc(CN2CCCc3ccccc32)c(O)c1
InChIInChI=1S/C17H19NO2/c1-20-15-9-8-14(17(19)11-15)12-18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyXDWWHXDPOFOVAD-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
CID 112616048
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856
1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 63462245
1-[(2-fluoro-4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 102877727
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-fluorobenzenecarbothioamide
CID 63293058
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
5-[(2-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 102877852
6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
CID 161351143
3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 117219224

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol (CID 82975068) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol is COc1ccc(CN2CCCc3ccccc32)c(O)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol?
The InChIKey is XDWWHXDPOFOVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-15-9-8-14(17(19)11-15)12-18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol is sourced from PubChem (CID 82975068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).