5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol

C17H17NO2 — CID 123419633

IUPAC5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol
SMILESCOc1ccc2c(c1)NCC=C2c1ccc(C)c(O)c1
InChIInChI=1S/C17H17NO2/c1-11-3-4-12(9-17(11)19)14-7-8-18-16-10-13(20-2)5-6-15(14)16/h3-7,9-10,18-19H,8H2,1-2H3
InChIKeyZSHAMABASRJLMM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds2

About 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol

5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol (PubChem CID 123419633) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol
PubChem CID123419633
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol
SMILESCOc1ccc2c(c1)NCC=C2c1ccc(C)c(O)c1
InChIInChI=1S/C17H17NO2/c1-11-3-4-12(9-17(11)19)14-7-8-18-16-10-13(20-2)5-6-15(14)16/h3-7,9-10,18-19H,8H2,1-2H3
InChIKeyZSHAMABASRJLMM-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol?
The IUPAC name of 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol (CID 123419633) is 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol.
What is the SMILES notation for 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol?
The canonical SMILES for 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol is COc1ccc2c(c1)NCC=C2c1ccc(C)c(O)c1.
What is the InChIKey of 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol?
The InChIKey is ZSHAMABASRJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-3-4-12(9-17(11)19)14-7-8-18-16-10-13(20-2)5-6-15(14)16/h3-7,9-10,18-19H,8H2,1-2H3.
What are the key properties of 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol?
5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol has a molecular weight of 267.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1,2-dihydroquinolin-4-yl)-2-methylphenol is sourced from PubChem (CID 123419633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).