2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol

C17H20N2O2 — CID 82963751

IUPAC2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)c3ccccc32)ccc1O
InChIInChI=1S/C17H20N2O2/c1-18-9-10-19(15-6-4-3-5-14(15)18)12-13-7-8-16(20)17(11-13)21-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyXBOJEXWIEJHXID-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds3

About 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol

2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol (PubChem CID 82963751) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
PubChem CID82963751
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)c3ccccc32)ccc1O
InChIInChI=1S/C17H20N2O2/c1-18-9-10-19(15-6-4-3-5-14(15)18)12-13-7-8-16(20)17(11-13)21-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyXBOJEXWIEJHXID-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-methoxyphenol
CID 117219975
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
CID 6498136
4-chloro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 63778013
2-chloro-6-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 115958889

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol (CID 82963751) is 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol is COc1cc(CN2CCN(C)c3ccccc32)ccc1O.
What is the InChIKey of 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol?
The InChIKey is XBOJEXWIEJHXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-9-10-19(15-6-4-3-5-14(15)18)12-13-7-8-16(20)17(11-13)21-2/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol?
2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol is sourced from PubChem (CID 82963751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).