1-(2-dodecylphenoxy)ethanol

C20H34O2 — CID 175113805

IUPAC1-(2-dodecylphenoxy)ethanol
SMILESCCCCCCCCCCCCc1ccccc1OC(C)O
InChIInChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)22-18(2)21/h13-14,16-18,21H,3-12,15H2,1-2H3
InChIKeySBPJBTKKUWHIAB-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.87
Rot. Bonds13

About 1-(2-dodecylphenoxy)ethanol

1-(2-dodecylphenoxy)ethanol (PubChem CID 175113805) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(2-dodecylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-dodecylphenoxy)ethanol
PubChem CID175113805
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(2-dodecylphenoxy)ethanol
SMILESCCCCCCCCCCCCc1ccccc1OC(C)O
InChIInChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)22-18(2)21/h13-14,16-18,21H,3-12,15H2,1-2H3
InChIKeySBPJBTKKUWHIAB-UHFFFAOYSA-N
XLogP5.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-1-(2-nonylphenoxy)propyl]-trimethylazanium bromide
CID 175267530
[2-hydroxy-1-(2-nonylphenoxy)propyl]-trimethylazanium chloride
CID 174513081
1-(2-octylphenoxy)propan-2-ol
CID 142740915
2-[2-(2-nonylphenoxy)propyl]phenol
CID 67180434
1-(2-ethylphenoxy)ethanol
CID 154419184
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545
1-methoxy-2-tetradecylbenzene
CID 69169530
N-ethyl-N-[1-(2-nonylphenoxy)ethyl]aniline
CID 21407334
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702
(2-hexylphenyl) propanoate
CID 173224312
(2-octylphenoxy)phosphane
CID 163637323
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973

Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylphenoxy)ethanol?
The IUPAC name of 1-(2-dodecylphenoxy)ethanol (CID 175113805) is 1-(2-dodecylphenoxy)ethanol.
What is the SMILES notation for 1-(2-dodecylphenoxy)ethanol?
The canonical SMILES for 1-(2-dodecylphenoxy)ethanol is CCCCCCCCCCCCc1ccccc1OC(C)O.
What is the InChIKey of 1-(2-dodecylphenoxy)ethanol?
The InChIKey is SBPJBTKKUWHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)22-18(2)21/h13-14,16-18,21H,3-12,15H2,1-2H3.
What are the key properties of 1-(2-dodecylphenoxy)ethanol?
1-(2-dodecylphenoxy)ethanol has a molecular weight of 306.49 g/mol, XLogP of 5.87, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylphenoxy)ethanol is sourced from PubChem (CID 175113805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).