1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene

C14H10Br3ClO2 — CID 107088808

IUPAC1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
SMILESCOc1cc(Br)c(Oc2ccc(CBr)cc2Cl)cc1Br
InChIInChI=1S/C14H10Br3ClO2/c1-19-13-5-10(17)14(6-9(13)16)20-12-3-2-8(7-15)4-11(12)18/h2-6H,7H2,1H3
InChIKeyMUKIDBJBSDIXTA-UHFFFAOYSA-N
MW485.40 g/mol
LogP6.56
Rot. Bonds4

About 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene

1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene (PubChem CID 107088808) has the molecular formula C14H10Br3ClO2 and a molecular weight of 485.40 g/mol. Its IUPAC name is 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene.

Molecular Properties

Compound Name1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
PubChem CID107088808
Molecular FormulaC14H10Br3ClO2
Molecular Weight485.40 g/mol
Exact Mass481.79
IUPAC Name1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
SMILESCOc1cc(Br)c(Oc2ccc(CBr)cc2Cl)cc1Br
InChIInChI=1S/C14H10Br3ClO2/c1-19-13-5-10(17)14(6-9(13)16)20-12-3-2-8(7-15)4-11(12)18/h2-6H,7H2,1H3
InChIKeyMUKIDBJBSDIXTA-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)-2-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087597
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
4-(bromomethyl)-1-(2-butan-2-ylphenoxy)-2-chlorobenzene
CID 107087329
4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
1-[3-chloro-4-(2,4-dibromophenoxy)phenyl]butan-2-amine
CID 81160657
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene?
The IUPAC name of 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene (CID 107088808) is 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene.
What is the SMILES notation for 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene?
The canonical SMILES for 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene is COc1cc(Br)c(Oc2ccc(CBr)cc2Cl)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene?
The InChIKey is MUKIDBJBSDIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO2/c1-19-13-5-10(17)14(6-9(13)16)20-12-3-2-8(7-15)4-11(12)18/h2-6H,7H2,1H3.
What are the key properties of 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene?
1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene has a molecular weight of 485.40 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene is sourced from PubChem (CID 107088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).