(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol

C10H11BrO3 — CID 84709698

IUPAC(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol
SMILESCCc1c(CO)cc(Br)c2c1OCO2
InChIInChI=1S/C10H11BrO3/c1-2-7-6(4-12)3-8(11)10-9(7)13-5-14-10/h3,12H,2,4-5H2,1H3
InChIKeyJIBUJKZILGVQMO-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.23
Rot. Bonds2

About (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol

(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol (PubChem CID 84709698) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol
PubChem CID84709698
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol
SMILESCCc1c(CO)cc(Br)c2c1OCO2
InChIInChI=1S/C10H11BrO3/c1-2-7-6(4-12)3-8(11)10-9(7)13-5-14-10/h3,12H,2,4-5H2,1H3
InChIKeyJIBUJKZILGVQMO-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 84713190
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117483586
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117464906
2-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117484958
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanol
CID 117486341
8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 59598541
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
3-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)butanal
CID 117481734
5-bromo-7-(hydroxymethyl)-1,3-benzodioxole-4-carbaldehyde
CID 84709614
4-bromo-6-ethyl-1,3-benzodioxole
CID 130065754
(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
CID 117278326
2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117434918

Frequently Asked Questions

What is the IUPAC name of (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol?
The IUPAC name of (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol (CID 84709698) is (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol is CCc1c(CO)cc(Br)c2c1OCO2.
What is the InChIKey of (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol?
The InChIKey is JIBUJKZILGVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-7-6(4-12)3-8(11)10-9(7)13-5-14-10/h3,12H,2,4-5H2,1H3.
What are the key properties of (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol?
(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol has a molecular weight of 259.10 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 84709698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).