2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol

C18H30O2 — CID 71404212

IUPAC2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol
SMILESCCC(C)(C)c1cccc(OCCO)c1C(C)(C)CC
InChIInChI=1S/C18H30O2/c1-7-17(3,4)14-10-9-11-15(20-13-12-19)16(14)18(5,6)8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyIAFWKQAYZUBOKA-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.43
Rot. Bonds7

About 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol

2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol (PubChem CID 71404212) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol
PubChem CID71404212
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol
SMILESCCC(C)(C)c1cccc(OCCO)c1C(C)(C)CC
InChIInChI=1S/C18H30O2/c1-7-17(3,4)14-10-9-11-15(20-13-12-19)16(14)18(5,6)8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyIAFWKQAYZUBOKA-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol (CID 71404212) is 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol is CCC(C)(C)c1cccc(OCCO)c1C(C)(C)CC.
What is the InChIKey of 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol?
The InChIKey is IAFWKQAYZUBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-17(3,4)14-10-9-11-15(20-13-12-19)16(14)18(5,6)8-2/h9-11,19H,7-8,12-13H2,1-6H3.
What are the key properties of 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol?
2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol has a molecular weight of 278.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 71404212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).