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

C14H20O4 — CID 115005698

IUPAC1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cccc1OC1CCOC1
InChIInChI=1S/C14H20O4/c1-10(15)8-11-4-3-5-13(14(11)16-2)18-12-6-7-17-9-12/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyJQQJSIVPAKBYNN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds5

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

1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol (PubChem CID 115005698) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
PubChem CID115005698
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cccc1OC1CCOC1
InChIInChI=1S/C14H20O4/c1-10(15)8-11-4-3-5-13(14(11)16-2)18-12-6-7-17-9-12/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyJQQJSIVPAKBYNN-UHFFFAOYSA-N
XLogP1.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol?
The IUPAC name of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol (CID 115005698) is 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol is COc1c(CC(C)O)cccc1OC1CCOC1.
What is the InChIKey of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol?
The InChIKey is JQQJSIVPAKBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(15)8-11-4-3-5-13(14(11)16-2)18-12-6-7-17-9-12/h3-5,10,12,15H,6-9H2,1-2H3.
What are the key properties of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol?
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol has a molecular weight of 252.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol is sourced from PubChem (CID 115005698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).