1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene

C15H14BrClO — CID 156560224

IUPAC1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene
SMILESCOCCc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C15H14BrClO/c1-18-10-9-11-5-7-12(8-6-11)13-3-2-4-14(16)15(13)17/h2-8H,9-10H2,1H3
InChIKeyCSVDTUBJNJUEGA-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.96
Rot. Bonds4

About 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene

1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene (PubChem CID 156560224) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene
PubChem CID156560224
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene
SMILESCOCCc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C15H14BrClO/c1-18-10-9-11-5-7-12(8-6-11)13-3-2-4-14(16)15(13)17/h2-8H,9-10H2,1H3
InChIKeyCSVDTUBJNJUEGA-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene?
The IUPAC name of 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene (CID 156560224) is 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene is COCCc1ccc(-c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene?
The InChIKey is CSVDTUBJNJUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-18-10-9-11-5-7-12(8-6-11)13-3-2-4-14(16)15(13)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene?
1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene has a molecular weight of 325.63 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene is sourced from PubChem (CID 156560224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).