(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol

C17H12Cl4O — CID 6479336

IUPAC(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol
SMILESOC(/C=C/c1ccc(Cl)c(Cl)c1)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h1-10,13,22H/b5-1+,6-2+
InChIKeyOZLGMZOJKCBDRF-IJIVKGSJSA-N
MW374.09 g/mol
LogP6.39
Rot. Bonds4

About (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol

(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol (PubChem CID 6479336) has the molecular formula C17H12Cl4O and a molecular weight of 374.09 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol
PubChem CID6479336
Molecular FormulaC17H12Cl4O
Molecular Weight374.09 g/mol
Exact Mass371.96
IUPAC Name(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol
SMILESOC(/C=C/c1ccc(Cl)c(Cl)c1)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h1-10,13,22H/b5-1+,6-2+
InChIKeyOZLGMZOJKCBDRF-IJIVKGSJSA-N
XLogP6.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.09
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol?
The IUPAC name of (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol (CID 6479336) is (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol.
What is the SMILES notation for (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol?
The canonical SMILES for (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol is OC(/C=C/c1ccc(Cl)c(Cl)c1)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol?
The InChIKey is OZLGMZOJKCBDRF-IJIVKGSJSA-N. The full InChI is InChI=1S/C17H12Cl4O/c18-14-7-3-11(9-16(14)20)1-5-13(22)6-2-12-4-8-15(19)17(21)10-12/h1-10,13,22H/b5-1+,6-2+.
What are the key properties of (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol?
(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol has a molecular weight of 374.09 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 6479336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).