1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene

C14H10Br2Cl2O — CID 63430739

IUPAC1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2Cl2O/c1-19-14-11(6-10(17)7-12(14)16)13(18)8-2-4-9(15)5-3-8/h2-7,13H,1H3
InChIKeyHQGCCZWKBGPXMR-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.20
Rot. Bonds3

About 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene

1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene (PubChem CID 63430739) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
PubChem CID63430739
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2Cl2O/c1-19-14-11(6-10(17)7-12(14)16)13(18)8-2-4-9(15)5-3-8/h2-7,13H,1H3
InChIKeyHQGCCZWKBGPXMR-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.20
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

1-bromo-5-chloro-3-[chloro-(4-methylsulfanylphenyl)methyl]-2-methoxybenzene
CID 79217991
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
CID 63431157
1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435954
2,3-dibromo-5-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]thiophene
CID 80538927
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene (CID 63430739) is 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene is COc1c(Br)cc(Cl)cc1C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene?
The InChIKey is HQGCCZWKBGPXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c1-19-14-11(6-10(17)7-12(14)16)13(18)8-2-4-9(15)5-3-8/h2-7,13H,1H3.
What are the key properties of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene?
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene has a molecular weight of 424.95 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene is sourced from PubChem (CID 63430739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).