1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene

C16H15BrCl2O2 — CID 63431157

IUPAC1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccc(C)cc1C(Cl)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C16H15BrCl2O2/c1-9-4-5-14(20-2)11(6-9)15(19)12-7-10(18)8-13(17)16(12)21-3/h4-8,15H,1-3H3
InChIKeyAXYVPKWFBFFNBE-UHFFFAOYSA-N
MW390.10 g/mol
LogP5.76
Rot. Bonds4

About 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene

1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene (PubChem CID 63431157) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
PubChem CID63431157
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccc(C)cc1C(Cl)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C16H15BrCl2O2/c1-9-4-5-14(20-2)11(6-9)15(19)12-7-10(18)8-13(17)16(12)21-3/h4-8,15H,1-3H3
InChIKeyAXYVPKWFBFFNBE-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.10
LogP ≤ 55.76
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-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 106862986
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
2,3-dibromo-5-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]thiophene
CID 80538927
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
1-bromo-5-chloro-3-[chloro-(4-methylsulfanylphenyl)methyl]-2-methoxybenzene
CID 79217991
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
(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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene?
The IUPAC name of 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene (CID 63431157) is 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene?
The canonical SMILES for 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene is COc1ccc(C)cc1C(Cl)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene?
The InChIKey is AXYVPKWFBFFNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c1-9-4-5-14(20-2)11(6-9)15(19)12-7-10(18)8-13(17)16(12)21-3/h4-8,15H,1-3H3.
What are the key properties of 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene?
1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene has a molecular weight of 390.10 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 63431157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).