[2-(3-ethoxyphenyl)oxolan-3-yl]methanol

C13H18O3 — CID 79365153

IUPAC[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
SMILESCCOc1cccc(C2OCCC2CO)c1
InChIInChI=1S/C13H18O3/c1-2-15-12-5-3-4-10(8-12)13-11(9-14)6-7-16-13/h3-5,8,11,13-14H,2,6-7,9H2,1H3
InChIKeyNTKFJQWUWVCDHA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.16
Rot. Bonds4

About [2-(3-ethoxyphenyl)oxolan-3-yl]methanol

[2-(3-ethoxyphenyl)oxolan-3-yl]methanol (PubChem CID 79365153) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [2-(3-ethoxyphenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
PubChem CID79365153
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
SMILESCCOc1cccc(C2OCCC2CO)c1
InChIInChI=1S/C13H18O3/c1-2-15-12-5-3-4-10(8-12)13-11(9-14)6-7-16-13/h3-5,8,11,13-14H,2,6-7,9H2,1H3
InChIKeyNTKFJQWUWVCDHA-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-ethoxyphenyl)oxolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxyphenyl)oxolan-3-yl]methanol?
The IUPAC name of [2-(3-ethoxyphenyl)oxolan-3-yl]methanol (CID 79365153) is [2-(3-ethoxyphenyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(3-ethoxyphenyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(3-ethoxyphenyl)oxolan-3-yl]methanol is CCOc1cccc(C2OCCC2CO)c1.
What is the InChIKey of [2-(3-ethoxyphenyl)oxolan-3-yl]methanol?
The InChIKey is NTKFJQWUWVCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-15-12-5-3-4-10(8-12)13-11(9-14)6-7-16-13/h3-5,8,11,13-14H,2,6-7,9H2,1H3.
What are the key properties of [2-(3-ethoxyphenyl)oxolan-3-yl]methanol?
[2-(3-ethoxyphenyl)oxolan-3-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxyphenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 79365153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).