1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene

C16H16BrClO2 — CID 65432015

IUPAC1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2cc(Br)c(C)cc2OC)cc1
InChIInChI=1S/C16H16BrClO2/c1-10-8-15(20-3)13(9-14(10)17)16(18)11-4-6-12(19-2)7-5-11/h4-9,16H,1-3H3
InChIKeyDYHQHEYUMZMDBB-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.10
Rot. Bonds4

About 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene

1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 65432015) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID65432015
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2cc(Br)c(C)cc2OC)cc1
InChIInChI=1S/C16H16BrClO2/c1-10-8-15(20-3)13(9-14(10)17)16(18)11-4-6-12(19-2)7-5-11/h4-9,16H,1-3H3
InChIKeyDYHQHEYUMZMDBB-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.10
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-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 107958956
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
1-bromo-5-[chloro-(5-chloro-2-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 82891475
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597
1-bromo-5-[chloro-(2,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433952
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
2,3-dibromo-5-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]thiophene
CID 80538678

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene (CID 65432015) is 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene is COc1ccc(C(Cl)c2cc(Br)c(C)cc2OC)cc1.
What is the InChIKey of 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is DYHQHEYUMZMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-8-15(20-3)13(9-14(10)17)16(18)11-4-6-12(19-2)7-5-11/h4-9,16H,1-3H3.
What are the key properties of 1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 355.66 g/mol, XLogP of 5.10, 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-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65432015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).