2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol

C16H18O4 — CID 174709972

IUPAC2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
SMILESCc1cccc(OCCOc2cccc(C)c2O)c1O
InChIInChI=1S/C16H18O4/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8,17-18H,9-10H2,1-2H3
InChIKeySOCIHQSMILNSAB-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol

2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol (PubChem CID 174709972) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
PubChem CID174709972
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
SMILESCc1cccc(OCCOc2cccc(C)c2O)c1O
InChIInChI=1S/C16H18O4/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8,17-18H,9-10H2,1-2H3
InChIKeySOCIHQSMILNSAB-UHFFFAOYSA-N
XLogP3.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-methylphenol
CID 14911944
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
3-tetradecoxybenzene-1,2-diol
CID 152769078
2-(2-fluorophenoxy)-6-methylphenol
CID 20513456
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
3-methylbenzene-1,2-diol
CID 135381405
butane;2,6-dimethylphenol;ethane
CID 143018459
3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
CID 14815710
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol (CID 174709972) is 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol is Cc1cccc(OCCOc2cccc(C)c2O)c1O.
What is the InChIKey of 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol?
The InChIKey is SOCIHQSMILNSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol?
2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol has a molecular weight of 274.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol is sourced from PubChem (CID 174709972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).