1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol

C13H16O5 — CID 141140451

IUPAC1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc(C(O)C2=COCO2)ccc1OC
InChIInChI=1S/C13H16O5/c1-3-17-11-6-9(4-5-10(11)15-2)13(14)12-7-16-8-18-12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyZINKWZYRHQQKND-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.97
Rot. Bonds5

About 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol

1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol (PubChem CID 141140451) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
PubChem CID141140451
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc(C(O)C2=COCO2)ccc1OC
InChIInChI=1S/C13H16O5/c1-3-17-11-6-9(4-5-10(11)15-2)13(14)12-7-16-8-18-12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyZINKWZYRHQQKND-UHFFFAOYSA-N
XLogP1.97
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
CID 7447456
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
CID 69205838
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol?
The IUPAC name of 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol (CID 141140451) is 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol?
The canonical SMILES for 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol is CCOc1cc(C(O)C2=COCO2)ccc1OC.
What is the InChIKey of 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol?
The InChIKey is ZINKWZYRHQQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-3-17-11-6-9(4-5-10(11)15-2)13(14)12-7-16-8-18-12/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol?
1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol has a molecular weight of 252.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 141140451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).