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

C13H18O4 — CID 113449272

IUPAC2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCOc1cccc(OCC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O4/c1-15-11-3-2-4-12(7-11)17-9-13(14)10-5-6-16-8-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3
InChIKeyCZZRFNSRQQOHMR-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.47
Rot. Bonds5

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

2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 113449272) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID113449272
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCOc1cccc(OCC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O4/c1-15-11-3-2-4-12(7-11)17-9-13(14)10-5-6-16-8-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3
InChIKeyCZZRFNSRQQOHMR-UHFFFAOYSA-N
XLogP1.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 105496707
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol (CID 113449272) is 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol is COc1cccc(OCC(O)C2CCOC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is CZZRFNSRQQOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-11-3-2-4-12(7-11)17-9-13(14)10-5-6-16-8-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol?
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol has a molecular weight of 238.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 113449272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).