2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol

C11H14O4 — CID 142077480

IUPAC2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
SMILESCOc1cc(CCO)c2c(c1C)OCO2
InChIInChI=1S/C11H14O4/c1-7-9(13-2)5-8(3-4-12)11-10(7)14-6-15-11/h5,12H,3-4,6H2,1-2H3
InChIKeyPXJWLRHKSZBYKQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.27
Rot. Bonds3

About 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol

2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol (PubChem CID 142077480) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
PubChem CID142077480
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
SMILESCOc1cc(CCO)c2c(c1C)OCO2
InChIInChI=1S/C11H14O4/c1-7-9(13-2)5-8(3-4-12)11-10(7)14-6-15-11/h5,12H,3-4,6H2,1-2H3
InChIKeyPXJWLRHKSZBYKQ-UHFFFAOYSA-N
XLogP1.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
CID 57197865
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085
3-(6,7-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297652
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
CID 117278326
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol?
The IUPAC name of 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol (CID 142077480) is 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol.
What is the SMILES notation for 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol?
The canonical SMILES for 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol is COc1cc(CCO)c2c(c1C)OCO2.
What is the InChIKey of 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol?
The InChIKey is PXJWLRHKSZBYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-9(13-2)5-8(3-4-12)11-10(7)14-6-15-11/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol?
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol is sourced from PubChem (CID 142077480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).