3-(2-methylquinolin-4-yl)oxyphenol

C16H13NO2 — CID 60871458

IUPAC3-(2-methylquinolin-4-yl)oxyphenol
SMILESCc1cc(Oc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C16H13NO2/c1-11-9-16(14-7-2-3-8-15(14)17-11)19-13-6-4-5-12(18)10-13/h2-10,18H,1H3
InChIKeyMITVELUXXOSJTN-UHFFFAOYSA-N
MW251.28 g/mol
LogP4.04
Rot. Bonds2

About 3-(2-methylquinolin-4-yl)oxyphenol

3-(2-methylquinolin-4-yl)oxyphenol (PubChem CID 60871458) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2-methylquinolin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(2-methylquinolin-4-yl)oxyphenol
PubChem CID60871458
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name3-(2-methylquinolin-4-yl)oxyphenol
SMILESCc1cc(Oc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C16H13NO2/c1-11-9-16(14-7-2-3-8-15(14)17-11)19-13-6-4-5-12(18)10-13/h2-10,18H,1H3
InChIKeyMITVELUXXOSJTN-UHFFFAOYSA-N
XLogP4.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
2-[4-(2-methylquinolin-4-yl)oxyphenyl]ethanol
CID 107709613
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
2-(3-hydroxyphenoxy)quinoline-4-carbonitrile
CID 63886025
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
CID 43525450
4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
CID 23962836
3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
CID 86257010
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
N,2-dimethyl-8-phenoxyquinolin-4-amine
CID 63481310

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-4-yl)oxyphenol?
The IUPAC name of 3-(2-methylquinolin-4-yl)oxyphenol (CID 60871458) is 3-(2-methylquinolin-4-yl)oxyphenol.
What is the SMILES notation for 3-(2-methylquinolin-4-yl)oxyphenol?
The canonical SMILES for 3-(2-methylquinolin-4-yl)oxyphenol is Cc1cc(Oc2cccc(O)c2)c2ccccc2n1.
What is the InChIKey of 3-(2-methylquinolin-4-yl)oxyphenol?
The InChIKey is MITVELUXXOSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-9-16(14-7-2-3-8-15(14)17-11)19-13-6-4-5-12(18)10-13/h2-10,18H,1H3.
What are the key properties of 3-(2-methylquinolin-4-yl)oxyphenol?
3-(2-methylquinolin-4-yl)oxyphenol has a molecular weight of 251.28 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-4-yl)oxyphenol is sourced from PubChem (CID 60871458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).