3-decoxy-5-methylphenol

C17H28O2 — CID 107679752

IUPAC3-decoxy-5-methylphenol
SMILESCCCCCCCCCCOc1cc(C)cc(O)c1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-19-17-13-15(2)12-16(18)14-17/h12-14,18H,3-11H2,1-2H3
InChIKeyKCNOKOZOPVOGPJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.22
Rot. Bonds10

About 3-decoxy-5-methylphenol

3-decoxy-5-methylphenol (PubChem CID 107679752) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-decoxy-5-methylphenol.

Molecular Properties

Compound Name3-decoxy-5-methylphenol
PubChem CID107679752
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-decoxy-5-methylphenol
SMILESCCCCCCCCCCOc1cc(C)cc(O)c1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-19-17-13-15(2)12-16(18)14-17/h12-14,18H,3-11H2,1-2H3
InChIKeyKCNOKOZOPVOGPJ-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
3-hex-5-ynoxy-5-methylphenol
CID 142382541
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-methyl-5-(3-methylbutoxy)phenol
CID 103847271
3-dodecoxyphenol
CID 15719132
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
(3-hydroxy-5-methylphenyl) pentadecane-1-sulfonate
CID 101326896
3-methylphenol;4-tetradecoxyphenol
CID 70365130
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
4-octadecoxyphenol
CID 22179059

Frequently Asked Questions

What is the IUPAC name of 3-decoxy-5-methylphenol?
The IUPAC name of 3-decoxy-5-methylphenol (CID 107679752) is 3-decoxy-5-methylphenol.
What is the SMILES notation for 3-decoxy-5-methylphenol?
The canonical SMILES for 3-decoxy-5-methylphenol is CCCCCCCCCCOc1cc(C)cc(O)c1.
What is the InChIKey of 3-decoxy-5-methylphenol?
The InChIKey is KCNOKOZOPVOGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-19-17-13-15(2)12-16(18)14-17/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 3-decoxy-5-methylphenol?
3-decoxy-5-methylphenol has a molecular weight of 264.41 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-5-methylphenol is sourced from PubChem (CID 107679752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).