2-(2-dodecylphenoxy)ethanol

C20H34O2 — CID 14475097

IUPAC2-(2-dodecylphenoxy)ethanol
SMILESCCCCCCCCCCCCc1ccccc1OCCO
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)22-18-17-21/h12-13,15-16,21H,2-11,14,17-18H2,1H3
InChIKeyVBECUYCLCUJTMR-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.52
Rot. Bonds14

About 2-(2-dodecylphenoxy)ethanol

2-(2-dodecylphenoxy)ethanol (PubChem CID 14475097) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(2-dodecylphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-dodecylphenoxy)ethanol
PubChem CID14475097
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(2-dodecylphenoxy)ethanol
SMILESCCCCCCCCCCCCc1ccccc1OCCO
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)22-18-17-21/h12-13,15-16,21H,2-11,14,17-18H2,1H3
InChIKeyVBECUYCLCUJTMR-UHFFFAOYSA-N
XLogP5.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.52
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

2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-butyl-2-nonoxybenzene
CID 118255282
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
1-decyl-2-ethoxybenzene
CID 175243335
(2-octoxyphenyl)methanol
CID 43128604
ethane-1,2-diol;ethene;1-octyl-2-(2-octylphenoxy)benzene
CID 67303058
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylphenoxy)ethanol?
The IUPAC name of 2-(2-dodecylphenoxy)ethanol (CID 14475097) is 2-(2-dodecylphenoxy)ethanol.
What is the SMILES notation for 2-(2-dodecylphenoxy)ethanol?
The canonical SMILES for 2-(2-dodecylphenoxy)ethanol is CCCCCCCCCCCCc1ccccc1OCCO.
What is the InChIKey of 2-(2-dodecylphenoxy)ethanol?
The InChIKey is VBECUYCLCUJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)22-18-17-21/h12-13,15-16,21H,2-11,14,17-18H2,1H3.
What are the key properties of 2-(2-dodecylphenoxy)ethanol?
2-(2-dodecylphenoxy)ethanol has a molecular weight of 306.49 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylphenoxy)ethanol is sourced from PubChem (CID 14475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).