2-(2-octylphenoxy)ethanol

C16H26O2 — CID 18327116

IUPAC2-(2-octylphenoxy)ethanol
SMILESCCCCCCCCc1ccccc1OCCO
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3
InChIKeyGLDUZMNCEGHSBP-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.96
Rot. Bonds10

About 2-(2-octylphenoxy)ethanol

2-(2-octylphenoxy)ethanol (PubChem CID 18327116) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(2-octylphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-octylphenoxy)ethanol
PubChem CID18327116
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(2-octylphenoxy)ethanol
SMILESCCCCCCCCc1ccccc1OCCO
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3
InChIKeyGLDUZMNCEGHSBP-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.96
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

Phenoxyethanol
CID 31236
Mephenesin
CID 4059
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
1-Phenoxy-2-propanol
CID 92839
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
2-Methylanisole
CID 33637
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
Dihydrobenzofuran
CID 10329
o-CRESYL GLYCIDYL ETHER
CID 16640
Carvacryl ethyl ether
CID 527268
(2,6-Dimethylphenoxy)acetic acid
CID 101369

Frequently Asked Questions

What is the IUPAC name of 2-(2-octylphenoxy)ethanol?
The IUPAC name of 2-(2-octylphenoxy)ethanol (CID 18327116) is 2-(2-octylphenoxy)ethanol.
What is the SMILES notation for 2-(2-octylphenoxy)ethanol?
The canonical SMILES for 2-(2-octylphenoxy)ethanol is CCCCCCCCc1ccccc1OCCO.
What is the InChIKey of 2-(2-octylphenoxy)ethanol?
The InChIKey is GLDUZMNCEGHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3.
What are the key properties of 2-(2-octylphenoxy)ethanol?
2-(2-octylphenoxy)ethanol has a molecular weight of 250.38 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octylphenoxy)ethanol is sourced from PubChem (CID 18327116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).