(E)-4-(4-bromophenyl)but-3-enoic acid

C10H9BrO2 — CID 16756931

IUPAC(E)-4-(4-bromophenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h1-2,4-7H,3H2,(H,12,13)/b2-1+
InChIKeyQAKAGCGTEVRMQA-OWOJBTEDSA-N
MW241.08 g/mol
LogP2.94
Rot. Bonds3

About (E)-4-(4-bromophenyl)but-3-enoic acid

(E)-4-(4-bromophenyl)but-3-enoic acid (PubChem CID 16756931) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is (E)-4-(4-bromophenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-bromophenyl)but-3-enoic acid
PubChem CID16756931
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name(E)-4-(4-bromophenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h1-2,4-7H,3H2,(H,12,13)/b2-1+
InChIKeyQAKAGCGTEVRMQA-OWOJBTEDSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetic acid, 4-bromo-
CID 74654
3-Butenoic acid, 4-phenyl-, (3E)-
CID 5370625
p-Bromocinnamic acid
CID 99777
(2E)-3-(4-bromophenyl)prop-2-enoic acid
CID 737158
3-(4-Bromophenyl)propionic acid
CID 2735609
4-(4-Bromophenyl)butyric Acid
CID 252732
Methyl 3-(4-bromophenyl)prop-2-ynoate
CID 825797
5-(4-Bromophenyl)pentanoic acid
CID 10801119
4-Phenyl-3-Butenoic Acid
CID 92923
3-(4-Bromophenyl)propiolic acid
CID 825805
3-(4-Bromo-2-fluorophenyl)propanoic acid
CID 15094533
2-{[(4-Bromophenyl)methyl]sulfanyl}acetic acid
CID 1260885

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromophenyl)but-3-enoic acid?
The IUPAC name of (E)-4-(4-bromophenyl)but-3-enoic acid (CID 16756931) is (E)-4-(4-bromophenyl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(4-bromophenyl)but-3-enoic acid?
The canonical SMILES for (E)-4-(4-bromophenyl)but-3-enoic acid is O=C(O)C/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-4-(4-bromophenyl)but-3-enoic acid?
The InChIKey is QAKAGCGTEVRMQA-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h1-2,4-7H,3H2,(H,12,13)/b2-1+.
What are the key properties of (E)-4-(4-bromophenyl)but-3-enoic acid?
(E)-4-(4-bromophenyl)but-3-enoic acid has a molecular weight of 241.08 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromophenyl)but-3-enoic acid is sourced from PubChem (CID 16756931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).