1,5-bis(3,4-dichlorophenyl)pentan-3-one

C17H14Cl4O — CID 70057291

IUPAC1,5-bis(3,4-dichlorophenyl)pentan-3-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h3-4,7-10H,1-2,5-6H2
InChIKeyUUFONDNVECNAAW-UHFFFAOYSA-N
MW376.11 g/mol
LogP6.43
Rot. Bonds6

About 1,5-bis(3,4-dichlorophenyl)pentan-3-one

1,5-bis(3,4-dichlorophenyl)pentan-3-one (PubChem CID 70057291) has the molecular formula C17H14Cl4O and a molecular weight of 376.11 g/mol. Its IUPAC name is 1,5-bis(3,4-dichlorophenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(3,4-dichlorophenyl)pentan-3-one
PubChem CID70057291
Molecular FormulaC17H14Cl4O
Molecular Weight376.11 g/mol
Exact Mass373.98
IUPAC Name1,5-bis(3,4-dichlorophenyl)pentan-3-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h3-4,7-10H,1-2,5-6H2
InChIKeyUUFONDNVECNAAW-UHFFFAOYSA-N
XLogP6.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,4-dichlorophenyl)pentan-3-one?
The IUPAC name of 1,5-bis(3,4-dichlorophenyl)pentan-3-one (CID 70057291) is 1,5-bis(3,4-dichlorophenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(3,4-dichlorophenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(3,4-dichlorophenyl)pentan-3-one is O=C(CCc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,5-bis(3,4-dichlorophenyl)pentan-3-one?
The InChIKey is UUFONDNVECNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 1,5-bis(3,4-dichlorophenyl)pentan-3-one?
1,5-bis(3,4-dichlorophenyl)pentan-3-one has a molecular weight of 376.11 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,4-dichlorophenyl)pentan-3-one is sourced from PubChem (CID 70057291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).