4-(3-hydroxydecyl)-2-methoxyphenol

C17H28O3 — CID 10378937

IUPAC4-(3-hydroxydecyl)-2-methoxyphenol
SMILESCCCCCCCC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3
InChIKeyDFOMASIWHAPFEW-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.05
Rot. Bonds10

About 4-(3-hydroxydecyl)-2-methoxyphenol

4-(3-hydroxydecyl)-2-methoxyphenol (PubChem CID 10378937) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(3-hydroxydecyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-hydroxydecyl)-2-methoxyphenol
PubChem CID10378937
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name4-(3-hydroxydecyl)-2-methoxyphenol
SMILESCCCCCCCC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3
InChIKeyDFOMASIWHAPFEW-UHFFFAOYSA-N
XLogP4.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-hydroxydecyl)-2-methoxyphenol?
The IUPAC name of 4-(3-hydroxydecyl)-2-methoxyphenol (CID 10378937) is 4-(3-hydroxydecyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-hydroxydecyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-hydroxydecyl)-2-methoxyphenol is CCCCCCCC(O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(3-hydroxydecyl)-2-methoxyphenol?
The InChIKey is DFOMASIWHAPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3.
What are the key properties of 4-(3-hydroxydecyl)-2-methoxyphenol?
4-(3-hydroxydecyl)-2-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxydecyl)-2-methoxyphenol is sourced from PubChem (CID 10378937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).