1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene

C15H12Br3ClO2 — CID 63435996

IUPAC1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2OC)cc1Br
InChIInChI=1S/C15H12Br3ClO2/c1-20-13-4-3-8(5-11(13)16)14(18)10-6-9(19)7-12(17)15(10)21-2/h3-7,14H,1-2H3
InChIKeyCIAOZWNYVAKLNK-UHFFFAOYSA-N
MW499.42 g/mol
LogP6.37
Rot. Bonds4

About 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene

1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene (PubChem CID 63435996) has the molecular formula C15H12Br3ClO2 and a molecular weight of 499.42 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
PubChem CID63435996
Molecular FormulaC15H12Br3ClO2
Molecular Weight499.42 g/mol
Exact Mass495.81
IUPAC Name1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2OC)cc1Br
InChIInChI=1S/C15H12Br3ClO2/c1-20-13-4-3-8(5-11(13)16)14(18)10-6-9(19)7-12(17)15(10)21-2/h3-7,14H,1-2H3
InChIKeyCIAOZWNYVAKLNK-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 56.37
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-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435954
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 106862986

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene (CID 63435996) is 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene is COc1ccc(C(Br)c2cc(Cl)cc(Br)c2OC)cc1Br.
What is the InChIKey of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene?
The InChIKey is CIAOZWNYVAKLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3ClO2/c1-20-13-4-3-8(5-11(13)16)14(18)10-6-9(19)7-12(17)15(10)21-2/h3-7,14H,1-2H3.
What are the key properties of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene?
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene has a molecular weight of 499.42 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene is sourced from PubChem (CID 63435996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).