(3-hydroxy-4-methoxyphenyl)methyl-methylazanide

C9H12NO2- — CID 59297645

IUPAC(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
SMILESC[N-]Cc1ccc(OC)c(O)c1
InChIInChI=1S/C9H12NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,11H,6H2,1-2H3/q-1
InChIKeyDWKKCZKDMRUVPT-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.90
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl)methyl-methylazanide

(3-hydroxy-4-methoxyphenyl)methyl-methylazanide (PubChem CID 59297645) has the molecular formula C9H12NO2- and a molecular weight of 166.20 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)methyl-methylazanide.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
PubChem CID59297645
Molecular FormulaC9H12NO2-
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
SMILESC[N-]Cc1ccc(OC)c(O)c1
InChIInChI=1S/C9H12NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,11H,6H2,1-2H3/q-1
InChIKeyDWKKCZKDMRUVPT-UHFFFAOYSA-N
XLogP1.90
TPSA43.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
CID 20634483
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)methyl-methylazanide?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)methyl-methylazanide (CID 59297645) is (3-hydroxy-4-methoxyphenyl)methyl-methylazanide.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)methyl-methylazanide?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)methyl-methylazanide is C[N-]Cc1ccc(OC)c(O)c1.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)methyl-methylazanide?
The InChIKey is DWKKCZKDMRUVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,11H,6H2,1-2H3/q-1.
What are the key properties of (3-hydroxy-4-methoxyphenyl)methyl-methylazanide?
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide has a molecular weight of 166.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)methyl-methylazanide is sourced from PubChem (CID 59297645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).