2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol

C13H19NO3 — CID 58662167

IUPAC2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
SMILESCOc1cc(C)cc(CN2CCOCC2)c1O
InChIInChI=1S/C13H19NO3/c1-10-7-11(13(15)12(8-10)16-2)9-14-3-5-17-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyKTNJGEMFRVRRBB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds3

About 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol

2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol (PubChem CID 58662167) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
PubChem CID58662167
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
SMILESCOc1cc(C)cc(CN2CCOCC2)c1O
InChIInChI=1S/C13H19NO3/c1-10-7-11(13(15)12(8-10)16-2)9-14-3-5-17-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyKTNJGEMFRVRRBB-UHFFFAOYSA-N
XLogP1.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
2-amino-6-[[16-[(3-amino-2-hydroxy-5-methylphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-methylphenol
CID 10578190
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
6-bromo-3-hydroxy-2-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 53474473

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol?
The IUPAC name of 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol (CID 58662167) is 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol is COc1cc(C)cc(CN2CCOCC2)c1O.
What is the InChIKey of 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol?
The InChIKey is KTNJGEMFRVRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-7-11(13(15)12(8-10)16-2)9-14-3-5-17-6-4-14/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol?
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol has a molecular weight of 237.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 58662167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).