1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene

C14H12BrClO2 — CID 173336086

IUPAC1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cccc(-c2cccc(Br)c2OC)c1Cl
InChIInChI=1S/C14H12BrClO2/c1-17-12-8-4-5-9(13(12)16)10-6-3-7-11(15)14(10)18-2/h3-8H,1-2H3
InChIKeyRBAOFRIKRPIORG-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.79
Rot. Bonds3

About 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene

1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene (PubChem CID 173336086) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene
PubChem CID173336086
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cccc(-c2cccc(Br)c2OC)c1Cl
InChIInChI=1S/C14H12BrClO2/c1-17-12-8-4-5-9(13(12)16)10-6-3-7-11(15)14(10)18-2/h3-8H,1-2H3
InChIKeyRBAOFRIKRPIORG-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene?
The IUPAC name of 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene (CID 173336086) is 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene is COc1cccc(-c2cccc(Br)c2OC)c1Cl.
What is the InChIKey of 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene?
The InChIKey is RBAOFRIKRPIORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-17-12-8-4-5-9(13(12)16)10-6-3-7-11(15)14(10)18-2/h3-8H,1-2H3.
What are the key properties of 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene?
1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene has a molecular weight of 327.61 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chloro-3-methoxyphenyl)-2-methoxybenzene is sourced from PubChem (CID 173336086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).