[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol

C13H18O4 — CID 84700687

IUPAC[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
SMILESCOc1c(CO)cccc1OC1CCCOC1
InChIInChI=1S/C13H18O4/c1-15-13-10(8-14)4-2-6-12(13)17-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyRSMAJESYZAHPRW-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.75
Rot. Bonds4

About [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol

[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol (PubChem CID 84700687) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
PubChem CID84700687
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
SMILESCOc1c(CO)cccc1OC1CCCOC1
InChIInChI=1S/C13H18O4/c1-15-13-10(8-14)4-2-6-12(13)17-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyRSMAJESYZAHPRW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
3-naphthalen-1-yloxyoxane
CID 107137916
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
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
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol?
The IUPAC name of [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol (CID 84700687) is [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol.
What is the SMILES notation for [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol?
The canonical SMILES for [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol is COc1c(CO)cccc1OC1CCCOC1.
What is the InChIKey of [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol?
The InChIKey is RSMAJESYZAHPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-13-10(8-14)4-2-6-12(13)17-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3.
What are the key properties of [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol?
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol has a molecular weight of 238.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(oxan-3-yloxy)phenyl]methanol is sourced from PubChem (CID 84700687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).