2,3-dipentoxyphenol

C16H26O3 — CID 57426098

IUPAC2,3-dipentoxyphenol
SMILESCCCCCOc1cccc(O)c1OCCCCC
InChIInChI=1S/C16H26O3/c1-3-5-7-12-18-15-11-9-10-14(17)16(15)19-13-8-6-4-2/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyROTUVERPCCBAFF-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.53
Rot. Bonds10

About 2,3-dipentoxyphenol

2,3-dipentoxyphenol (PubChem CID 57426098) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,3-dipentoxyphenol.

Molecular Properties

Compound Name2,3-dipentoxyphenol
PubChem CID57426098
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2,3-dipentoxyphenol
SMILESCCCCCOc1cccc(O)c1OCCCCC
InChIInChI=1S/C16H26O3/c1-3-5-7-12-18-15-11-9-10-14(17)16(15)19-13-8-6-4-2/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyROTUVERPCCBAFF-UHFFFAOYSA-N
XLogP4.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipentoxyphenol?
The IUPAC name of 2,3-dipentoxyphenol (CID 57426098) is 2,3-dipentoxyphenol.
What is the SMILES notation for 2,3-dipentoxyphenol?
The canonical SMILES for 2,3-dipentoxyphenol is CCCCCOc1cccc(O)c1OCCCCC.
What is the InChIKey of 2,3-dipentoxyphenol?
The InChIKey is ROTUVERPCCBAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-5-7-12-18-15-11-9-10-14(17)16(15)19-13-8-6-4-2/h9-11,17H,3-8,12-13H2,1-2H3.
What are the key properties of 2,3-dipentoxyphenol?
2,3-dipentoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipentoxyphenol is sourced from PubChem (CID 57426098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).