7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine

C13H11BrO3 — CID 82275066

IUPAC7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine
SMILESCOc1c(Br)ccc2cc3c(cc12)OCCO3
InChIInChI=1S/C13H11BrO3/c1-15-13-9-7-12-11(16-4-5-17-12)6-8(9)2-3-10(13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyRBGZTTNRLIXHSW-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.38
Rot. Bonds1

About 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine

7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine (PubChem CID 82275066) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine.

Molecular Properties

Compound Name7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine
PubChem CID82275066
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine
SMILESCOc1c(Br)ccc2cc3c(cc12)OCCO3
InChIInChI=1S/C13H11BrO3/c1-15-13-9-7-12-11(16-4-5-17-12)6-8(9)2-3-10(13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyRBGZTTNRLIXHSW-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66543626
7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 117466605
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117486400
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
CID 131030911
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine?
The IUPAC name of 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine (CID 82275066) is 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine.
What is the SMILES notation for 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine?
The canonical SMILES for 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine is COc1c(Br)ccc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine?
The InChIKey is RBGZTTNRLIXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-15-13-9-7-12-11(16-4-5-17-12)6-8(9)2-3-10(13)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine?
7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine has a molecular weight of 295.13 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine is sourced from PubChem (CID 82275066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).