1-(1,3-dioxolan-2-yl)-2-phenylethanol

C11H14O3 — CID 10241725

IUPAC1-(1,3-dioxolan-2-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1OCCO1
InChIInChI=1S/C11H14O3/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyAKSMAOOJNLPOCV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.96
Rot. Bonds3

About 1-(1,3-dioxolan-2-yl)-2-phenylethanol

1-(1,3-dioxolan-2-yl)-2-phenylethanol (PubChem CID 10241725) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-2-phenylethanol
PubChem CID10241725
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(1,3-dioxolan-2-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1OCCO1
InChIInChI=1S/C11H14O3/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyAKSMAOOJNLPOCV-UHFFFAOYSA-N
XLogP0.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
CID 134987697
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
CID 22856131
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-2-phenylethanol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-2-phenylethanol (CID 10241725) is 1-(1,3-dioxolan-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-2-phenylethanol is OC(Cc1ccccc1)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-2-phenylethanol?
The InChIKey is AKSMAOOJNLPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-2-phenylethanol?
1-(1,3-dioxolan-2-yl)-2-phenylethanol has a molecular weight of 194.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-2-phenylethanol is sourced from PubChem (CID 10241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).