(Z)-4-chloro-3,5-diphenylpent-4-enoate

C17H14ClO2- — CID 100991575

IUPAC(Z)-4-chloro-3,5-diphenylpent-4-enoate
SMILESO=C([O-])CC(/C(Cl)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-16(11-13-7-3-1-4-8-13)15(12-17(19)20)14-9-5-2-6-10-14/h1-11,15H,12H2,(H,19,20)/p-1/b16-11-
InChIKeyYUULOJYHDYHUHG-WJDWOHSUSA-M
MW285.75 g/mol
LogP3.19
Rot. Bonds5

About (Z)-4-chloro-3,5-diphenylpent-4-enoate

(Z)-4-chloro-3,5-diphenylpent-4-enoate (PubChem CID 100991575) has the molecular formula C17H14ClO2- and a molecular weight of 285.75 g/mol. Its IUPAC name is (Z)-4-chloro-3,5-diphenylpent-4-enoate.

Molecular Properties

Compound Name(Z)-4-chloro-3,5-diphenylpent-4-enoate
PubChem CID100991575
Molecular FormulaC17H14ClO2-
Molecular Weight285.75 g/mol
Exact Mass285.07
IUPAC Name(Z)-4-chloro-3,5-diphenylpent-4-enoate
SMILESO=C([O-])CC(/C(Cl)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClO2/c18-16(11-13-7-3-1-4-8-13)15(12-17(19)20)14-9-5-2-6-10-14/h1-11,15H,12H2,(H,19,20)/p-1/b16-11-
InChIKeyYUULOJYHDYHUHG-WJDWOHSUSA-M
XLogP3.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylacetic Acid
CID 8333
Bis(4-chlorophenyl)acetic acid
CID 6730
Diphenylpropionic acid
CID 64798
Benzenepropanoic acid, 3-phenylpropyl ester
CID 108879
3-Phenylbutyric acid
CID 20724
2,2-Diphenylacetyl chloride
CID 74637
Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
CID 24371
2,3-Diphenyl-2-cyclopropene-1-carboxylic acid
CID 347383
beta-Ethylbenzenepropanoic acid
CID 21882
2-Methyl-3-phenylbutyric acid
CID 29759
(3S)-3-phenylbutanoic acid
CID 852991

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-3,5-diphenylpent-4-enoate?
The IUPAC name of (Z)-4-chloro-3,5-diphenylpent-4-enoate (CID 100991575) is (Z)-4-chloro-3,5-diphenylpent-4-enoate.
What is the SMILES notation for (Z)-4-chloro-3,5-diphenylpent-4-enoate?
The canonical SMILES for (Z)-4-chloro-3,5-diphenylpent-4-enoate is O=C([O-])CC(/C(Cl)=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-chloro-3,5-diphenylpent-4-enoate?
The InChIKey is YUULOJYHDYHUHG-WJDWOHSUSA-M. The full InChI is InChI=1S/C17H15ClO2/c18-16(11-13-7-3-1-4-8-13)15(12-17(19)20)14-9-5-2-6-10-14/h1-11,15H,12H2,(H,19,20)/p-1/b16-11-.
What are the key properties of (Z)-4-chloro-3,5-diphenylpent-4-enoate?
(Z)-4-chloro-3,5-diphenylpent-4-enoate has a molecular weight of 285.75 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-3,5-diphenylpent-4-enoate is sourced from PubChem (CID 100991575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).