(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol

C10H11BrO3 — CID 117400769

IUPAC(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1c(Br)cc2c(c1CO)OCCO2
InChIInChI=1S/C10H11BrO3/c1-6-7(5-12)10-9(4-8(6)11)13-2-3-14-10/h4,12H,2-3,5H2,1H3
InChIKeyBOTYOZHLTHLEQJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.02
Rot. Bonds1

About (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol

(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (PubChem CID 117400769) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
PubChem CID117400769
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1c(Br)cc2c(c1CO)OCCO2
InChIInChI=1S/C10H11BrO3/c1-6-7(5-12)10-9(4-8(6)11)13-2-3-14-10/h4,12H,2-3,5H2,1H3
InChIKeyBOTYOZHLTHLEQJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CID 117423660
3-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117484732
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117411650
(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 90380232
(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84713196
2-(7-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117484960
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
3-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117462920
5-bromo-7-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
CID 43143965

Frequently Asked Questions

What is the IUPAC name of (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The IUPAC name of (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (CID 117400769) is (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.
What is the SMILES notation for (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The canonical SMILES for (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is Cc1c(Br)cc2c(c1CO)OCCO2.
What is the InChIKey of (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The InChIKey is BOTYOZHLTHLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-7(5-12)10-9(4-8(6)11)13-2-3-14-10/h4,12H,2-3,5H2,1H3.
What are the key properties of (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol has a molecular weight of 259.10 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is sourced from PubChem (CID 117400769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).