1-(4-methyl-1,3-benzodioxol-5-yl)ethanol

C10H12O3 — CID 84657265

IUPAC1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(C)O)ccc2c1OCO2
InChIInChI=1S/C10H12O3/c1-6-8(7(2)11)3-4-9-10(6)13-5-12-9/h3-4,7,11H,5H2,1-2H3
InChIKeyQIZSNKOIDOGCRE-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.78
Rot. Bonds1

About 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol

1-(4-methyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 84657265) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID84657265
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(C)O)ccc2c1OCO2
InChIInChI=1S/C10H12O3/c1-6-8(7(2)11)3-4-9-10(6)13-5-12-9/h3-4,7,11H,5H2,1-2H3
InChIKeyQIZSNKOIDOGCRE-UHFFFAOYSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1,3-benzodioxole
CID 12958464
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-amino-1-(4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 84674987
2-hydroxy-2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)acetic acid
CID 117437922
2-(4-fluoro-1,3-benzodioxol-5-yl)propanoic acid
CID 117302567
(2R)-1-amino-3-[(4-methyl-1,3-benzodioxol-5-yl)oxy]propan-2-ol
CID 59762015
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-benzodioxol-4-ol
CID 117301123
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 84699487
ethyl 2-(4-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117356992
2-(4-bromo-1,3-benzodioxol-5-yl)propan-1-amine
CID 117398356
2-(4-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84766833

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol (CID 84657265) is 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol is Cc1c(C(C)O)ccc2c1OCO2.
What is the InChIKey of 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is QIZSNKOIDOGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-8(7(2)11)3-4-9-10(6)13-5-12-9/h3-4,7,11H,5H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol?
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 180.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 84657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).