2-(4-nonylphenoxy)ethanol

C17H28O2 — CID 7700

IUPAC2-(4-nonylphenoxy)ethanol
SMILESCCCCCCCCCc1ccc(OCCO)cc1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyKUXGUCNZFCVULO-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds11

About 2-(4-nonylphenoxy)ethanol

2-(4-nonylphenoxy)ethanol (PubChem CID 7700) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4-nonylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-nonylphenoxy)ethanol
PubChem CID7700
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(4-nonylphenoxy)ethanol
SMILESCCCCCCCCCc1ccc(OCCO)cc1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyKUXGUCNZFCVULO-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
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 2-(4-nonylphenoxy)ethanol?
The IUPAC name of 2-(4-nonylphenoxy)ethanol (CID 7700) is 2-(4-nonylphenoxy)ethanol.
What is the SMILES notation for 2-(4-nonylphenoxy)ethanol?
The canonical SMILES for 2-(4-nonylphenoxy)ethanol is CCCCCCCCCc1ccc(OCCO)cc1.
What is the InChIKey of 2-(4-nonylphenoxy)ethanol?
The InChIKey is KUXGUCNZFCVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3.
What are the key properties of 2-(4-nonylphenoxy)ethanol?
2-(4-nonylphenoxy)ethanol has a molecular weight of 264.41 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylphenoxy)ethanol is sourced from PubChem (CID 7700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).