3-(2-hydroxyphenyl)oxan-3-ol

C11H14O3 — CID 105447976

IUPAC3-(2-hydroxyphenyl)oxan-3-ol
SMILESOc1ccccc1C1(O)CCCOC1
InChIInChI=1S/C11H14O3/c12-10-5-2-1-4-9(10)11(13)6-3-7-14-8-11/h1-2,4-5,12-13H,3,6-8H2
InChIKeyBXVAWTVVIMTXTA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.39
Rot. Bonds1

About 3-(2-hydroxyphenyl)oxan-3-ol

3-(2-hydroxyphenyl)oxan-3-ol (PubChem CID 105447976) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)oxan-3-ol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)oxan-3-ol
PubChem CID105447976
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-hydroxyphenyl)oxan-3-ol
SMILESOc1ccccc1C1(O)CCCOC1
InChIInChI=1S/C11H14O3/c12-10-5-2-1-4-9(10)11(13)6-3-7-14-8-11/h1-2,4-5,12-13H,3,6-8H2
InChIKeyBXVAWTVVIMTXTA-UHFFFAOYSA-N
XLogP1.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)oxan-3-ol?
The IUPAC name of 3-(2-hydroxyphenyl)oxan-3-ol (CID 105447976) is 3-(2-hydroxyphenyl)oxan-3-ol.
What is the SMILES notation for 3-(2-hydroxyphenyl)oxan-3-ol?
The canonical SMILES for 3-(2-hydroxyphenyl)oxan-3-ol is Oc1ccccc1C1(O)CCCOC1.
What is the InChIKey of 3-(2-hydroxyphenyl)oxan-3-ol?
The InChIKey is BXVAWTVVIMTXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-5-2-1-4-9(10)11(13)6-3-7-14-8-11/h1-2,4-5,12-13H,3,6-8H2.
What are the key properties of 3-(2-hydroxyphenyl)oxan-3-ol?
3-(2-hydroxyphenyl)oxan-3-ol has a molecular weight of 194.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)oxan-3-ol is sourced from PubChem (CID 105447976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).