2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol

C10H11ClO3 — CID 117305868

IUPAC2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(Cl)c(CCO)cc2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-6-9(11)7(2-3-12)4-8-10(6)14-5-13-8/h4,12H,2-3,5H2,1H3
InChIKeyKZYGPKSHXPALJO-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.91
Rot. Bonds2

About 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol

2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117305868) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID117305868
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(Cl)c(CCO)cc2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-6-9(11)7(2-3-12)4-8-10(6)14-5-13-8/h4,12H,2-3,5H2,1H3
InChIKeyKZYGPKSHXPALJO-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

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Related Compounds

3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520
4-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 117394975
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84780937
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117434918
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 83886131
3-amino-3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 117397476
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-one
CID 117294702
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol (CID 117305868) is 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol is Cc1c(Cl)c(CCO)cc2c1OCO2.
What is the InChIKey of 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is KZYGPKSHXPALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-9(11)7(2-3-12)4-8-10(6)14-5-13-8/h4,12H,2-3,5H2,1H3.
What are the key properties of 2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol?
2-(6-chloro-7-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-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117305868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).