3,7-dibromo-2-methoxy-8-methyldibenzofuran

C14H10Br2O2 — CID 159921662

IUPAC3,7-dibromo-2-methoxy-8-methyldibenzofuran
SMILESCOc1cc2c(cc1Br)oc1cc(Br)c(C)cc12
InChIInChI=1S/C14H10Br2O2/c1-7-3-8-9-4-14(17-2)11(16)6-13(9)18-12(8)5-10(7)15/h3-6H,1-2H3
InChIKeyYVOQTNAGWUHCME-UHFFFAOYSA-N
MW370.04 g/mol
LogP5.43
Rot. Bonds1

About 3,7-dibromo-2-methoxy-8-methyldibenzofuran

3,7-dibromo-2-methoxy-8-methyldibenzofuran (PubChem CID 159921662) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 3,7-dibromo-2-methoxy-8-methyldibenzofuran.

Molecular Properties

Compound Name3,7-dibromo-2-methoxy-8-methyldibenzofuran
PubChem CID159921662
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name3,7-dibromo-2-methoxy-8-methyldibenzofuran
SMILESCOc1cc2c(cc1Br)oc1cc(Br)c(C)cc12
InChIInChI=1S/C14H10Br2O2/c1-7-3-8-9-4-14(17-2)11(16)6-13(9)18-12(8)5-10(7)15/h3-6H,1-2H3
InChIKeyYVOQTNAGWUHCME-UHFFFAOYSA-N
XLogP5.43
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.04
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-5-methoxy-3-methyl-1-benzofuran
CID 174145354
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
ethyl 6-bromo-5-methoxy-2-(sulfanylmethyl)-1-benzofuran-3-carboxylate
CID 14469048
methyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 162342579
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
7-bromo-4-chloro-6-methylchromen-2-one
CID 166609763
4-bromo-2-methoxy-5-methylbenzenethiol
CID 130137178
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040
ethyl 6-bromo-5-(3,4-dimethoxybenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate
CID 1389833

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-2-methoxy-8-methyldibenzofuran?
The IUPAC name of 3,7-dibromo-2-methoxy-8-methyldibenzofuran (CID 159921662) is 3,7-dibromo-2-methoxy-8-methyldibenzofuran.
What is the SMILES notation for 3,7-dibromo-2-methoxy-8-methyldibenzofuran?
The canonical SMILES for 3,7-dibromo-2-methoxy-8-methyldibenzofuran is COc1cc2c(cc1Br)oc1cc(Br)c(C)cc12.
What is the InChIKey of 3,7-dibromo-2-methoxy-8-methyldibenzofuran?
The InChIKey is YVOQTNAGWUHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c1-7-3-8-9-4-14(17-2)11(16)6-13(9)18-12(8)5-10(7)15/h3-6H,1-2H3.
What are the key properties of 3,7-dibromo-2-methoxy-8-methyldibenzofuran?
3,7-dibromo-2-methoxy-8-methyldibenzofuran has a molecular weight of 370.04 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-2-methoxy-8-methyldibenzofuran is sourced from PubChem (CID 159921662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).