4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene

C15H12BrClO — CID 171750794

IUPAC4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene
SMILESClc1ccc(Br)c(Oc2cccc3c2CCC3)c1
InChIInChI=1S/C15H12BrClO/c16-13-8-7-11(17)9-15(13)18-14-6-2-4-10-3-1-5-12(10)14/h2,4,6-9H,1,3,5H2
InChIKeyUUZGPWNWJWQRNI-UHFFFAOYSA-N
MW323.62 g/mol
LogP5.38
Rot. Bonds2

About 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene

4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene (PubChem CID 171750794) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene
PubChem CID171750794
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene
SMILESClc1ccc(Br)c(Oc2cccc3c2CCC3)c1
InChIInChI=1S/C15H12BrClO/c16-13-8-7-11(17)9-15(13)18-14-6-2-4-10-3-1-5-12(10)14/h2,4,6-9H,1,3,5H2
InChIKeyUUZGPWNWJWQRNI-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene?
The IUPAC name of 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene (CID 171750794) is 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene is Clc1ccc(Br)c(Oc2cccc3c2CCC3)c1.
What is the InChIKey of 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene?
The InChIKey is UUZGPWNWJWQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c16-13-8-7-11(17)9-15(13)18-14-6-2-4-10-3-1-5-12(10)14/h2,4,6-9H,1,3,5H2.
What are the key properties of 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene?
4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene has a molecular weight of 323.62 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 171750794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).