bis[(2,4-dibromophenyl)methyl] carbonate

C15H10Br4O3 — CID 164884274

IUPACbis[(2,4-dibromophenyl)methyl] carbonate
SMILESO=C(OCc1ccc(Br)cc1Br)OCc1ccc(Br)cc1Br
InChIInChI=1S/C15H10Br4O3/c16-11-3-1-9(13(18)5-11)7-21-15(20)22-8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2
InChIKeyGZYDVWMKPNHFSZ-UHFFFAOYSA-N
MW557.86 g/mol
LogP6.59
Rot. Bonds4

About bis[(2,4-dibromophenyl)methyl] carbonate

bis[(2,4-dibromophenyl)methyl] carbonate (PubChem CID 164884274) has the molecular formula C15H10Br4O3 and a molecular weight of 557.86 g/mol. Its IUPAC name is bis[(2,4-dibromophenyl)methyl] carbonate.

Molecular Properties

Compound Namebis[(2,4-dibromophenyl)methyl] carbonate
PubChem CID164884274
Molecular FormulaC15H10Br4O3
Molecular Weight557.86 g/mol
Exact Mass553.74
IUPAC Namebis[(2,4-dibromophenyl)methyl] carbonate
SMILESO=C(OCc1ccc(Br)cc1Br)OCc1ccc(Br)cc1Br
InChIInChI=1S/C15H10Br4O3/c16-11-3-1-9(13(18)5-11)7-21-15(20)22-8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2
InChIKeyGZYDVWMKPNHFSZ-UHFFFAOYSA-N
XLogP6.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.86
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
CID 151763622
(2,4-dibromophenyl)methanesulfonamide
CID 107944156
bis[(2,5-dibromophenyl)methyl] hexanedioate
CID 57275972
2-(2,4-dibromophenyl)ethanamine
CID 73012416
bis(2,4-dibromophenyl) carbonate
CID 54492294
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-bromo-4-[(4-bromophenyl)methoxymethyl]benzohydrazide
CID 102774450
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413
ethyl 3-[4-bromo-2-(bromomethyl)phenyl]propanoate
CID 131473835
2-amino-3-[(2,4-dibromophenyl)methyl]benzoic acid
CID 19612076
2-acetamido-3-(2,4-dibromophenyl)propanoic acid
CID 167731368
1-bromo-3-(2,5-dibromophenyl)propan-2-one
CID 130837160

Frequently Asked Questions

What is the IUPAC name of bis[(2,4-dibromophenyl)methyl] carbonate?
The IUPAC name of bis[(2,4-dibromophenyl)methyl] carbonate (CID 164884274) is bis[(2,4-dibromophenyl)methyl] carbonate.
What is the SMILES notation for bis[(2,4-dibromophenyl)methyl] carbonate?
The canonical SMILES for bis[(2,4-dibromophenyl)methyl] carbonate is O=C(OCc1ccc(Br)cc1Br)OCc1ccc(Br)cc1Br.
What is the InChIKey of bis[(2,4-dibromophenyl)methyl] carbonate?
The InChIKey is GZYDVWMKPNHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br4O3/c16-11-3-1-9(13(18)5-11)7-21-15(20)22-8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2.
What are the key properties of bis[(2,4-dibromophenyl)methyl] carbonate?
bis[(2,4-dibromophenyl)methyl] carbonate has a molecular weight of 557.86 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,4-dibromophenyl)methyl] carbonate is sourced from PubChem (CID 164884274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).