3-methoxy-5-undecylphenol

C18H30O2 — CID 46189015

IUPAC3-methoxy-5-undecylphenol
SMILESCCCCCCCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(14-16)20-2/h13-15,19H,3-12H2,1-2H3
InChIKeyPGCYEKRDYMCFNF-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.47
Rot. Bonds11

About 3-methoxy-5-undecylphenol

3-methoxy-5-undecylphenol (PubChem CID 46189015) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methoxy-5-undecylphenol.

Molecular Properties

Compound Name3-methoxy-5-undecylphenol
PubChem CID46189015
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name3-methoxy-5-undecylphenol
SMILESCCCCCCCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(14-16)20-2/h13-15,19H,3-12H2,1-2H3
InChIKeyPGCYEKRDYMCFNF-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.47
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-undecylphenol?
The IUPAC name of 3-methoxy-5-undecylphenol (CID 46189015) is 3-methoxy-5-undecylphenol.
What is the SMILES notation for 3-methoxy-5-undecylphenol?
The canonical SMILES for 3-methoxy-5-undecylphenol is CCCCCCCCCCCc1cc(O)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-undecylphenol?
The InChIKey is PGCYEKRDYMCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(14-16)20-2/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-5-undecylphenol?
3-methoxy-5-undecylphenol has a molecular weight of 278.44 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-undecylphenol is sourced from PubChem (CID 46189015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).