(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone

C13H10Br2O3 — CID 114368760

IUPAC(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H10Br2O3/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6H,7H2,1H3
InChIKeyAXQHEDMJPJOOAX-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.18
Rot. Bonds4

About (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone

(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 114368760) has the molecular formula C13H10Br2O3 and a molecular weight of 374.03 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID114368760
Molecular FormulaC13H10Br2O3
Molecular Weight374.03 g/mol
Exact Mass371.90
IUPAC Name(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H10Br2O3/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6H,7H2,1H3
InChIKeyAXQHEDMJPJOOAX-UHFFFAOYSA-N
XLogP4.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461679
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
(3-bromo-5-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461643
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461687
(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107123757
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 56788508
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86925221
[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
CID 107332667

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 114368760) is (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)c2cc(Br)ccc2Br)o1.
What is the InChIKey of (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is AXQHEDMJPJOOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O3/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6H,7H2,1H3.
What are the key properties of (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 374.03 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 114368760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).