3-(2,4-dimethoxyphenyl)oxolan-3-ol

C12H16O4 — CID 63331455

IUPAC3-(2,4-dimethoxyphenyl)oxolan-3-ol
SMILESCOc1ccc(C2(O)CCOC2)c(OC)c1
InChIInChI=1S/C12H16O4/c1-14-9-3-4-10(11(7-9)15-2)12(13)5-6-16-8-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyQJVJZHIQNOBVRN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.31
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)oxolan-3-ol

3-(2,4-dimethoxyphenyl)oxolan-3-ol (PubChem CID 63331455) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)oxolan-3-ol
PubChem CID63331455
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(2,4-dimethoxyphenyl)oxolan-3-ol
SMILESCOc1ccc(C2(O)CCOC2)c(OC)c1
InChIInChI=1S/C12H16O4/c1-14-9-3-4-10(11(7-9)15-2)12(13)5-6-16-8-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyQJVJZHIQNOBVRN-UHFFFAOYSA-N
XLogP1.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
4-(2,4-dimethoxyphenyl)-1-ethylpiperidin-4-ol
CID 62801450
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
CID 79368972
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
3-(5-fluoro-2-methylphenyl)oxolan-3-ol
CID 63331828
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)oxolan-3-ol?
The IUPAC name of 3-(2,4-dimethoxyphenyl)oxolan-3-ol (CID 63331455) is 3-(2,4-dimethoxyphenyl)oxolan-3-ol.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)oxolan-3-ol?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)oxolan-3-ol is COc1ccc(C2(O)CCOC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)oxolan-3-ol?
The InChIKey is QJVJZHIQNOBVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-14-9-3-4-10(11(7-9)15-2)12(13)5-6-16-8-12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)oxolan-3-ol?
3-(2,4-dimethoxyphenyl)oxolan-3-ol has a molecular weight of 224.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)oxolan-3-ol is sourced from PubChem (CID 63331455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).