(Z)-5-(2-chlorophenyl)pent-3-enoic acid

C11H11ClO2 — CID 117267940

IUPAC(Z)-5-(2-chlorophenyl)pent-3-enoic acid
SMILESO=C(O)C/C=C\Cc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c12-10-7-3-1-5-9(10)6-2-4-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/b4-2-
InChIKeyRKZADVTZFIMSER-RQOWECAXSA-N
MW210.66 g/mol
LogP2.91
Rot. Bonds4

About (Z)-5-(2-chlorophenyl)pent-3-enoic acid

(Z)-5-(2-chlorophenyl)pent-3-enoic acid (PubChem CID 117267940) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (Z)-5-(2-chlorophenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-(2-chlorophenyl)pent-3-enoic acid
PubChem CID117267940
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(Z)-5-(2-chlorophenyl)pent-3-enoic acid
SMILESO=C(O)C/C=C\Cc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c12-10-7-3-1-5-9(10)6-2-4-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/b4-2-
InChIKeyRKZADVTZFIMSER-RQOWECAXSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.91
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

5-(2-chlorophenyl)pent-3-en-1-ol
CID 123893185
(E)-4-(2-chlorophenyl)but-2-en-1-amine
CID 105439817
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
3-[(2-chlorophenyl)methyl]but-3-enoic acid
CID 117268936
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
CID 66815445
4-(2-chloro-6-formylphenyl)but-3-enoic acid
CID 170483449
4-(3-chloro-2-formylphenyl)but-3-enoic acid
CID 170483467
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-chlorophenyl)pent-3-enoic acid?
The IUPAC name of (Z)-5-(2-chlorophenyl)pent-3-enoic acid (CID 117267940) is (Z)-5-(2-chlorophenyl)pent-3-enoic acid.
What is the SMILES notation for (Z)-5-(2-chlorophenyl)pent-3-enoic acid?
The canonical SMILES for (Z)-5-(2-chlorophenyl)pent-3-enoic acid is O=C(O)C/C=C\Cc1ccccc1Cl.
What is the InChIKey of (Z)-5-(2-chlorophenyl)pent-3-enoic acid?
The InChIKey is RKZADVTZFIMSER-RQOWECAXSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-10-7-3-1-5-9(10)6-2-4-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/b4-2-.
What are the key properties of (Z)-5-(2-chlorophenyl)pent-3-enoic acid?
(Z)-5-(2-chlorophenyl)pent-3-enoic acid has a molecular weight of 210.66 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-chlorophenyl)pent-3-enoic acid is sourced from PubChem (CID 117267940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).