2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol

C13H18O3 — CID 104753502

IUPAC2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(OCC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O3/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-4,7,11,13-14H,5-6,8-9H2,1H3
InChIKeyOSRNLOXBJQKGFQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.77
Rot. Bonds4

About 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol

2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 104753502) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID104753502
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(OCC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O3/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-4,7,11,13-14H,5-6,8-9H2,1H3
InChIKeyOSRNLOXBJQKGFQ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol (CID 104753502) is 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol is Cc1cccc(OCC(O)C2CCOC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is OSRNLOXBJQKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-4,7,11,13-14H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol?
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol has a molecular weight of 222.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).