(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid

C15H9BrCl2O3 — CID 132593294

IUPAC(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H9BrCl2O3/c16-10-2-4-11(5-3-10)21-14(15(19)20)8-9-1-6-12(17)13(18)7-9/h1-8H,(H,19,20)/b14-8-
InChIKeyHCFUJRNXFNQUAC-ZSOIEALJSA-N
MW388.04 g/mol
LogP5.26
Rot. Bonds4

About (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid

(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid (PubChem CID 132593294) has the molecular formula C15H9BrCl2O3 and a molecular weight of 388.04 g/mol. Its IUPAC name is (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid
PubChem CID132593294
Molecular FormulaC15H9BrCl2O3
Molecular Weight388.04 g/mol
Exact Mass385.91
IUPAC Name(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H9BrCl2O3/c16-10-2-4-11(5-3-10)21-14(15(19)20)8-9-1-6-12(17)13(18)7-9/h1-8H,(H,19,20)/b14-8-
InChIKeyHCFUJRNXFNQUAC-ZSOIEALJSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.04
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-2-(4-methoxyphenoxy)prop-2-enoic acid
CID 139651173
2-amino-3-(3,4-dichlorophenyl)prop-2-enoic acid
CID 130167282
(E)-3-[4-(4-bromophenoxy)-3-chlorophenyl]prop-2-enoic acid
CID 81154683
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
2-(3,5-dimethoxyphenoxy)-3-(3,4-dimethylphenyl)prop-2-enoic acid
CID 139651224
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
(Z)-3-(3-bromo-4-chlorophenyl)-2-methylprop-2-enoic acid
CID 83229880
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
CID 132591993
(E)-2-(4-chlorophenoxy)but-2-enedioic acid
CID 5383727
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
CID 3696314

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid (CID 132593294) is (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid is O=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)Oc1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid?
The InChIKey is HCFUJRNXFNQUAC-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H9BrCl2O3/c16-10-2-4-11(5-3-10)21-14(15(19)20)8-9-1-6-12(17)13(18)7-9/h1-8H,(H,19,20)/b14-8-.
What are the key properties of (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid?
(Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid has a molecular weight of 388.04 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenoxy)-3-(3,4-dichlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 132593294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).