1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol

C12H16O4 — CID 117321785

IUPAC1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
SMILESCOCc1ccc2c(c1C(C)O)OCCO2
InChIInChI=1S/C12H16O4/c1-8(13)11-9(7-14-2)3-4-10-12(11)16-6-5-15-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyHERPHDPIBRZLKC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.66
Rot. Bonds3

About 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol

1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol (PubChem CID 117321785) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
PubChem CID117321785
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
SMILESCOCc1ccc2c(c1C(C)O)OCCO2
InChIInChI=1S/C12H16O4/c1-8(13)11-9(7-14-2)3-4-10-12(11)16-6-5-15-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyHERPHDPIBRZLKC-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117472011
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
CID 117323156
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 84704627
1-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117353690
2-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117345190
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 84699487
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The IUPAC name of 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol (CID 117321785) is 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol.
What is the SMILES notation for 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The canonical SMILES for 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol is COCc1ccc2c(c1C(C)O)OCCO2.
What is the InChIKey of 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The InChIKey is HERPHDPIBRZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)11-9(7-14-2)3-4-10-12(11)16-6-5-15-10/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol is sourced from PubChem (CID 117321785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).