2-[4-(2-methyloctan-2-yl)phenoxy]ethanol

C17H28O2 — CID 102437281

IUPAC2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
SMILESCCCCCCC(C)(C)c1ccc(OCCO)cc1
InChIInChI=1S/C17H28O2/c1-4-5-6-7-12-17(2,3)15-8-10-16(11-9-15)19-14-13-18/h8-11,18H,4-7,12-14H2,1-3H3
InChIKeyFDUNUQBYFNQXFU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.31
Rot. Bonds9

About 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol

2-[4-(2-methyloctan-2-yl)phenoxy]ethanol (PubChem CID 102437281) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
PubChem CID102437281
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
SMILESCCCCCCC(C)(C)c1ccc(OCCO)cc1
InChIInChI=1S/C17H28O2/c1-4-5-6-7-12-17(2,3)15-8-10-16(11-9-15)19-14-13-18/h8-11,18H,4-7,12-14H2,1-3H3
InChIKeyFDUNUQBYFNQXFU-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.31
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-[2-[2-[2-[2-[2-[2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925855
2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90471302
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]dodecan-2-yl]phenoxy]ethanol
CID 139685224
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol
CID 139831972
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925879
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925876
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925878
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
1,1-bis(4-octadecoxyphenyl)decylphosphane
CID 22342118
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol (CID 102437281) is 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol is CCCCCCC(C)(C)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol?
The InChIKey is FDUNUQBYFNQXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-5-6-7-12-17(2,3)15-8-10-16(11-9-15)19-14-13-18/h8-11,18H,4-7,12-14H2,1-3H3.
What are the key properties of 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol?
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol has a molecular weight of 264.41 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyloctan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 102437281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).