2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol

C16H24O2 — CID 66058100

IUPAC2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
SMILESCCC(CO)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-16(13-17,14-7-4-3-5-8-14)11-10-15-9-6-12-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyWIJBFZKOUHKCKR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol

2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol (PubChem CID 66058100) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
PubChem CID66058100
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
SMILESCCC(CO)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-16(13-17,14-7-4-3-5-8-14)11-10-15-9-6-12-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyWIJBFZKOUHKCKR-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
CID 79450140
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 116696380
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
CID 79450596
2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
CID 166174488
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol (CID 66058100) is 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol is CCC(CO)(CCC1CCCO1)c1ccccc1.
What is the InChIKey of 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol?
The InChIKey is WIJBFZKOUHKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-16(13-17,14-7-4-3-5-8-14)11-10-15-9-6-12-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3.
What are the key properties of 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol?
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 66058100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).