2-(2-methylphenyl)-1,3-dioxan-5-ol

C11H14O3 — CID 3033606

IUPAC2-(2-methylphenyl)-1,3-dioxan-5-ol
SMILESCc1ccccc1C1OCC(O)CO1
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeyNCMQNBRXQZBDML-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds1

About 2-(2-methylphenyl)-1,3-dioxan-5-ol

2-(2-methylphenyl)-1,3-dioxan-5-ol (PubChem CID 3033606) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-dioxan-5-ol
PubChem CID3033606
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-methylphenyl)-1,3-dioxan-5-ol
SMILESCc1ccccc1C1OCC(O)CO1
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeyNCMQNBRXQZBDML-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 595928
CID 595928
CID 74362
CID 74362
CID 10549806
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CID 22235151
CID 22235151
CID 79409
CID 79409
CID 92840
CID 92840
CID 188977
CID 188977
CID 15572
CID 15572
CID 17042
CID 17042
CID 92875
CID 92875
CID 118119
CID 118119
CID 107381
CID 107381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-dioxan-5-ol?
The IUPAC name of 2-(2-methylphenyl)-1,3-dioxan-5-ol (CID 3033606) is 2-(2-methylphenyl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-dioxan-5-ol?
The canonical SMILES for 2-(2-methylphenyl)-1,3-dioxan-5-ol is Cc1ccccc1C1OCC(O)CO1.
What is the InChIKey of 2-(2-methylphenyl)-1,3-dioxan-5-ol?
The InChIKey is NCMQNBRXQZBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1,3-dioxan-5-ol?
2-(2-methylphenyl)-1,3-dioxan-5-ol has a molecular weight of 194.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 3033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).