1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol

C13H18O4 — CID 117349251

IUPAC1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(C)O)c1OC1CCOC1
InChIInChI=1S/C13H18O4/c1-9(14)11-4-3-5-12(15-2)13(11)17-10-6-7-16-8-10/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyMFCVEQXSZTYCRE-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.92
Rot. Bonds4

About 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol

1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol (PubChem CID 117349251) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
PubChem CID117349251
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(C)O)c1OC1CCOC1
InChIInChI=1S/C13H18O4/c1-9(14)11-4-3-5-12(15-2)13(11)17-10-6-7-16-8-10/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyMFCVEQXSZTYCRE-UHFFFAOYSA-N
XLogP1.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
CID 117453495
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol (CID 117349251) is 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol is COc1cccc(C(C)O)c1OC1CCOC1.
What is the InChIKey of 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The InChIKey is MFCVEQXSZTYCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(14)11-4-3-5-12(15-2)13(11)17-10-6-7-16-8-10/h3-5,9-10,14H,6-8H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol has a molecular weight of 238.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 117349251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).