1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene

C19H13BrClFO — CID 162532808

IUPAC1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene
SMILESCOc1c(Br)ccc(-c2ccccc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C19H13BrClFO/c1-23-19-14(20)11-10-13(12-6-3-2-4-7-12)17(19)18-15(21)8-5-9-16(18)22/h2-11H,1H3
InChIKeyKWVJZSOATYDQLB-UHFFFAOYSA-N
MW391.67 g/mol
LogP6.58
Rot. Bonds3

About 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene

1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene (PubChem CID 162532808) has the molecular formula C19H13BrClFO and a molecular weight of 391.67 g/mol. Its IUPAC name is 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene
PubChem CID162532808
Molecular FormulaC19H13BrClFO
Molecular Weight391.67 g/mol
Exact Mass389.98
IUPAC Name1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene
SMILESCOc1c(Br)ccc(-c2ccccc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C19H13BrClFO/c1-23-19-14(20)11-10-13(12-6-3-2-4-7-12)17(19)18-15(21)8-5-9-16(18)22/h2-11H,1H3
InChIKeyKWVJZSOATYDQLB-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.67
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene?
The IUPAC name of 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene (CID 162532808) is 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene.
What is the SMILES notation for 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene?
The canonical SMILES for 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene is COc1c(Br)ccc(-c2ccccc2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene?
The InChIKey is KWVJZSOATYDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClFO/c1-23-19-14(20)11-10-13(12-6-3-2-4-7-12)17(19)18-15(21)8-5-9-16(18)22/h2-11H,1H3.
What are the key properties of 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene?
1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene has a molecular weight of 391.67 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chloro-6-fluorophenyl)-2-methoxy-4-phenylbenzene is sourced from PubChem (CID 162532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).