5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol

C15H17NO2 — CID 123389699

IUPAC5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
SMILESCOc1ccc(Cc2cncc(C)c2C)cc1O
InChIInChI=1S/C15H17NO2/c1-10-8-16-9-13(11(10)2)6-12-4-5-15(18-3)14(17)7-12/h4-5,7-9,17H,6H2,1-3H3
InChIKeyMZGWLSWOLRZZGT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.00
Rot. Bonds3

About 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol

5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol (PubChem CID 123389699) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
PubChem CID123389699
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
SMILESCOc1ccc(Cc2cncc(C)c2C)cc1O
InChIInChI=1S/C15H17NO2/c1-10-8-16-9-13(11(10)2)6-12-4-5-15(18-3)14(17)7-12/h4-5,7-9,17H,6H2,1-3H3
InChIKeyMZGWLSWOLRZZGT-UHFFFAOYSA-N
XLogP3.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
2-amino-4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenol;ethane
CID 144620268
4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
CID 116926096
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
5-[(2R)-2-(3,5-dimethoxy-4-methylphenyl)-2-hydroxyethyl]-2-methoxyphenol
CID 130324218
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol
CID 71575534
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol (CID 123389699) is 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol is COc1ccc(Cc2cncc(C)c2C)cc1O.
What is the InChIKey of 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol?
The InChIKey is MZGWLSWOLRZZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-8-16-9-13(11(10)2)6-12-4-5-15(18-3)14(17)7-12/h4-5,7-9,17H,6H2,1-3H3.
What are the key properties of 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol?
5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol has a molecular weight of 243.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol is sourced from PubChem (CID 123389699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).