1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene

C14H10Br4O — CID 175540729

IUPAC1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
SMILESBrC(Br)c1ccccc1Oc1ccccc1C(Br)Br
InChIInChI=1S/C14H10Br4O/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H
InChIKeyHQAQXJBVALMJQN-UHFFFAOYSA-N
MW513.85 g/mol
LogP7.06
Rot. Bonds4

About 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene

1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene (PubChem CID 175540729) has the molecular formula C14H10Br4O and a molecular weight of 513.85 g/mol. Its IUPAC name is 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
PubChem CID175540729
Molecular FormulaC14H10Br4O
Molecular Weight513.85 g/mol
Exact Mass509.75
IUPAC Name1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
SMILESBrC(Br)c1ccccc1Oc1ccccc1C(Br)Br
InChIInChI=1S/C14H10Br4O/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H
InChIKeyHQAQXJBVALMJQN-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
CID 57082676
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
CID 66780613
1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
CID 141467496
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene
CID 70141403
2-(bromomethyl)-1-(dibromomethyl)-3-methoxybenzene
CID 14892473

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene?
The IUPAC name of 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene (CID 175540729) is 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene.
What is the SMILES notation for 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene?
The canonical SMILES for 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene is BrC(Br)c1ccccc1Oc1ccccc1C(Br)Br.
What is the InChIKey of 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene?
The InChIKey is HQAQXJBVALMJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H.
What are the key properties of 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene?
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene has a molecular weight of 513.85 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene is sourced from PubChem (CID 175540729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).