(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid

C15H9Cl2NO4 — CID 5372543

IUPAC(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2NO4/c16-11-3-1-2-9(6-11)13(15(19)20)8-10-7-12(17)4-5-14(10)18(21)22/h1-8H,(H,19,20)/b13-8-
InChIKeyVGVKSGUQHFHOGD-JYRVWZFOSA-N
MW338.15 g/mol
LogP4.53
Rot. Bonds4

About (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid

(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid (PubChem CID 5372543) has the molecular formula C15H9Cl2NO4 and a molecular weight of 338.15 g/mol. Its IUPAC name is (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid
PubChem CID5372543
Molecular FormulaC15H9Cl2NO4
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2NO4/c16-11-3-1-2-9(6-11)13(15(19)20)8-10-7-12(17)4-5-14(10)18(21)22/h1-8H,(H,19,20)/b13-8-
InChIKeyVGVKSGUQHFHOGD-JYRVWZFOSA-N
XLogP4.53
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid
CID 95564604
(E)-3-(5-chloro-2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 10732055
(Z)-3-(4-chloro-2-nitrophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 5372217
(Z)-3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 97115039
3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 602317
(3-chlorophenyl)-(3,4-dihydroxy-5-nitrophenyl)methanone
CID 21459125
(Z)-3-(4-chloro-3-nitrophenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 112721120
(E)-3-(5-chloro-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 177311265
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
(Z)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126
(5-formyl-2-nitrophenyl) 3-chlorobenzoate
CID 155923770

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid (CID 5372543) is (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid is O=C(O)/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid?
The InChIKey is VGVKSGUQHFHOGD-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H9Cl2NO4/c16-11-3-1-2-9(6-11)13(15(19)20)8-10-7-12(17)4-5-14(10)18(21)22/h1-8H,(H,19,20)/b13-8-.
What are the key properties of (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid?
(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid has a molecular weight of 338.15 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 5372543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).