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

C10H11ClO3 — CID 84680593

IUPAC1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(C)O)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-5-7(6(2)12)3-8(11)10-9(5)13-4-14-10/h3,6,12H,4H2,1-2H3
InChIKeyKMVWLUIUQXGOFX-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.43
Rot. Bonds1

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

1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 84680593) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID84680593
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(C)O)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H11ClO3/c1-5-7(6(2)12)3-8(11)10-9(5)13-4-14-10/h3,6,12H,4H2,1-2H3
InChIKeyKMVWLUIUQXGOFX-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)propan-2-ol
CID 117329398
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
CID 84690833
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117358648
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117395128
3-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117389912
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679955
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (CID 84680593) is 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is Cc1c(C(C)O)cc(Cl)c2c1OCO2.
What is the InChIKey of 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is KMVWLUIUQXGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5-7(6(2)12)3-8(11)10-9(5)13-4-14-10/h3,6,12H,4H2,1-2H3.
What are the key properties of 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 214.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 84680593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).