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

C17H19NO2 — CID 82975067

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
SMILESCOc1ccc(CN2CCCc3ccccc32)cc1O
InChIInChI=1S/C17H19NO2/c1-20-17-9-8-13(11-16(17)19)12-18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyABCQGYSDRGSZLZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.35
Rot. Bonds3

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

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol (PubChem CID 82975067) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
PubChem CID82975067
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
SMILESCOc1ccc(CN2CCCc3ccccc32)cc1O
InChIInChI=1S/C17H19NO2/c1-20-17-9-8-13(11-16(17)19)12-18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3
InChIKeyABCQGYSDRGSZLZ-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

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Related Compounds

2-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenoxy]acetamide
CID 86785685
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
CID 106787989
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 82963751
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9272342
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983454
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol (CID 82975067) is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol is COc1ccc(CN2CCCc3ccccc32)cc1O.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol?
The InChIKey is ABCQGYSDRGSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-9-8-13(11-16(17)19)12-18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol?
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-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 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol is sourced from PubChem (CID 82975067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).