1-bromo-4-(2,2-dibromopropoxymethyl)benzene

C10H11Br3O — CID 67833437

IUPAC1-bromo-4-(2,2-dibromopropoxymethyl)benzene
SMILESCC(Br)(Br)COCc1ccc(Br)cc1
InChIInChI=1S/C10H11Br3O/c1-10(12,13)7-14-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyMXMSHKAHBHBKCM-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.47
Rot. Bonds4

About 1-bromo-4-(2,2-dibromopropoxymethyl)benzene

1-bromo-4-(2,2-dibromopropoxymethyl)benzene (PubChem CID 67833437) has the molecular formula C10H11Br3O and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-bromo-4-(2,2-dibromopropoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-dibromopropoxymethyl)benzene
PubChem CID67833437
Molecular FormulaC10H11Br3O
Molecular Weight386.91 g/mol
Exact Mass383.84
IUPAC Name1-bromo-4-(2,2-dibromopropoxymethyl)benzene
SMILESCC(Br)(Br)COCc1ccc(Br)cc1
InChIInChI=1S/C10H11Br3O/c1-10(12,13)7-14-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyMXMSHKAHBHBKCM-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 82827410
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
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3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
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3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932
1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
CID 154634128
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
(4-bromophenyl)methoxymethyl-trifluoroboranuide
CID 82826221
2-[2-[(4-bromophenyl)methoxy]ethyl]-2-methylbut-3-en-1-ol
CID 122228540
3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
CID 81217476
1-[(3-bromo-2,2-dimethylpropoxy)methyl]-4-chlorobenzene
CID 65124513

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-dibromopropoxymethyl)benzene?
The IUPAC name of 1-bromo-4-(2,2-dibromopropoxymethyl)benzene (CID 67833437) is 1-bromo-4-(2,2-dibromopropoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,2-dibromopropoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-(2,2-dibromopropoxymethyl)benzene is CC(Br)(Br)COCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,2-dibromopropoxymethyl)benzene?
The InChIKey is MXMSHKAHBHBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3O/c1-10(12,13)7-14-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-bromo-4-(2,2-dibromopropoxymethyl)benzene?
1-bromo-4-(2,2-dibromopropoxymethyl)benzene has a molecular weight of 386.91 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-dibromopropoxymethyl)benzene is sourced from PubChem (CID 67833437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).