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

C12H16O4 — CID 84689080

IUPAC[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
SMILESCOc1c(CO)cccc1OC1CCOC1
InChIInChI=1S/C12H16O4/c1-14-12-9(7-13)3-2-4-11(12)16-10-5-6-15-8-10/h2-4,10,13H,5-8H2,1H3
InChIKeyPIAVDCBWVDDPCL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.36
Rot. Bonds4

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

[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol (PubChem CID 84689080) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
PubChem CID84689080
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
SMILESCOc1c(CO)cccc1OC1CCOC1
InChIInChI=1S/C12H16O4/c1-14-12-9(7-13)3-2-4-11(12)16-10-5-6-15-8-10/h2-4,10,13H,5-8H2,1H3
InChIKeyPIAVDCBWVDDPCL-UHFFFAOYSA-N
XLogP1.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
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
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
CID 112612396
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol?
The IUPAC name of [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol (CID 84689080) is [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol.
What is the SMILES notation for [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol?
The canonical SMILES for [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol is COc1c(CO)cccc1OC1CCOC1.
What is the InChIKey of [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol?
The InChIKey is PIAVDCBWVDDPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-14-12-9(7-13)3-2-4-11(12)16-10-5-6-15-8-10/h2-4,10,13H,5-8H2,1H3.
What are the key properties of [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol?
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol has a molecular weight of 224.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol is sourced from PubChem (CID 84689080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).