methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate

C13H10Br2O4 — CID 60594327

IUPACmethyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(Br)cccc2Br)o1
InChIInChI=1S/C13H10Br2O4/c1-17-13(16)11-6-5-8(19-11)7-18-12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeyVVDJHEQIUZFDHF-UHFFFAOYSA-N
MW390.03 g/mol
LogP4.17
Rot. Bonds4

About methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate

methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate (PubChem CID 60594327) has the molecular formula C13H10Br2O4 and a molecular weight of 390.03 g/mol. Its IUPAC name is methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
PubChem CID60594327
Molecular FormulaC13H10Br2O4
Molecular Weight390.03 g/mol
Exact Mass387.89
IUPAC Namemethyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(Br)cccc2Br)o1
InChIInChI=1S/C13H10Br2O4/c1-17-13(16)11-6-5-8(19-11)7-18-12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeyVVDJHEQIUZFDHF-UHFFFAOYSA-N
XLogP4.17
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 5-[(2,6-dibromoanilino)methyl]furan-2-carboxylate
CID 107597258
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
5-[(2,4,6-tribromophenoxy)methyl]furan-2-carboxylate
CID 7138860
methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 2601508
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
CID 170877453

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate (CID 60594327) is methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2c(Br)cccc2Br)o1.
What is the InChIKey of methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate?
The InChIKey is VVDJHEQIUZFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O4/c1-17-13(16)11-6-5-8(19-11)7-18-12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3.
What are the key properties of methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate?
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate has a molecular weight of 390.03 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 60594327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).