(Z)-5-(4-bromophenyl)pent-3-enoic acid

C11H11BrO2 — CID 117267985

IUPAC(Z)-5-(4-bromophenyl)pent-3-enoic acid
SMILESO=C(O)C/C=C\Cc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-2,5-8H,3-4H2,(H,13,14)/b2-1-
InChIKeyLMNPXORBQWHLJV-UPHRSURJSA-N
MW255.11 g/mol
LogP3.02
Rot. Bonds4

About (Z)-5-(4-bromophenyl)pent-3-enoic acid

(Z)-5-(4-bromophenyl)pent-3-enoic acid (PubChem CID 117267985) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (Z)-5-(4-bromophenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-(4-bromophenyl)pent-3-enoic acid
PubChem CID117267985
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(Z)-5-(4-bromophenyl)pent-3-enoic acid
SMILESO=C(O)C/C=C\Cc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-2,5-8H,3-4H2,(H,13,14)/b2-1-
InChIKeyLMNPXORBQWHLJV-UPHRSURJSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)but-2-en-1-ol
CID 175247472
methyl (Z)-4-(4-bromophenyl)but-2-enoate
CID 118947159
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene
CID 134852441
4-(4-bromophenyl)but-2-enenitrile
CID 175198091
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)acetyl chloride
CID 87964783
2-(4-bromo-2-deuteriophenyl)acetic acid
CID 176551490
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870
methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
CID 117267991
2-[(4-bromophenyl)methyl-formylamino]acetic acid
CID 90106180

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-bromophenyl)pent-3-enoic acid?
The IUPAC name of (Z)-5-(4-bromophenyl)pent-3-enoic acid (CID 117267985) is (Z)-5-(4-bromophenyl)pent-3-enoic acid.
What is the SMILES notation for (Z)-5-(4-bromophenyl)pent-3-enoic acid?
The canonical SMILES for (Z)-5-(4-bromophenyl)pent-3-enoic acid is O=C(O)C/C=C\Cc1ccc(Br)cc1.
What is the InChIKey of (Z)-5-(4-bromophenyl)pent-3-enoic acid?
The InChIKey is LMNPXORBQWHLJV-UPHRSURJSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-2,5-8H,3-4H2,(H,13,14)/b2-1-.
What are the key properties of (Z)-5-(4-bromophenyl)pent-3-enoic acid?
(Z)-5-(4-bromophenyl)pent-3-enoic acid has a molecular weight of 255.11 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-bromophenyl)pent-3-enoic acid is sourced from PubChem (CID 117267985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).