1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol

C14H20O3 — CID 65350862

IUPAC1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2COCCO2)cc1
InChIInChI=1S/C14H20O3/c1-2-11-3-5-12(6-4-11)9-13(15)14-10-16-7-8-17-14/h3-6,13-15H,2,7-10H2,1H3
InChIKeyKDLMKTPPPWYJOA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.57
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol

1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 65350862) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
PubChem CID65350862
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2COCCO2)cc1
InChIInChI=1S/C14H20O3/c1-2-11-3-5-12(6-4-11)9-13(15)14-10-16-7-8-17-14/h3-6,13-15H,2,7-10H2,1H3
InChIKeyKDLMKTPPPWYJOA-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350697
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
1-(1,4-dioxan-2-yl)-3-methylbut-3-en-1-ol
CID 115277790
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol (CID 65350862) is 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)C2COCCO2)cc1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is KDLMKTPPPWYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-11-3-5-12(6-4-11)9-13(15)14-10-16-7-8-17-14/h3-6,13-15H,2,7-10H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol?
1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 65350862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).