2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol

C10H11ClO3 — CID 117305862

IUPAC2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(CCO)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4,12H,2-3,5H2,1H3
InChIKeyIAUGXPHDAQQEBP-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.91
Rot. Bonds2

About 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol

2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117305862) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID117305862
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(CCO)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4,12H,2-3,5H2,1H3
InChIKeyIAUGXPHDAQQEBP-UHFFFAOYSA-N
XLogP1.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679955
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117358648
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanone
CID 84702820
3-(6,7-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297652
3-amino-1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117356143
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-3-methylbutanoic acid
CID 117429705
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (CID 117305862) is 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is Cc1c(CCO)cc(Cl)c2c1OCO2.
What is the InChIKey of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is IAUGXPHDAQQEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4,12H,2-3,5H2,1H3.
What are the key properties of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 214.65 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117305862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).