(2S)-2-(4-chlorophenyl)pent-4-enoic acid

C11H11ClO2 — CID 11447156

IUPAC(2S)-2-(4-chlorophenyl)pent-4-enoic acid
SMILESC=CC[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m0/s1
InChIKeyLLSZDJYYZJMKEO-JTQLQIEISA-N
MW210.66 g/mol
LogP3.08
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)pent-4-enoic acid

(2S)-2-(4-chlorophenyl)pent-4-enoic acid (PubChem CID 11447156) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)pent-4-enoic acid
PubChem CID11447156
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(2S)-2-(4-chlorophenyl)pent-4-enoic acid
SMILESC=CC[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m0/s1
InChIKeyLLSZDJYYZJMKEO-JTQLQIEISA-N
XLogP3.08
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 ≤ 53.08
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

(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-(4-chlorophenyl)-4-methylidenehexanoic acid
CID 79440388
2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
CID 21391762
(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
CID 15536025
2-[4-(pyridine-3-carbonyl)phenyl]pent-4-enoic acid
CID 21391771
1-chloro-4-[(3R)-hexa-1,5-dien-3-yl]benzene
CID 122229914
1-chloro-4-(1-fluorobut-3-enyl)benzene
CID 86040171
(2R)-2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide;(2R)-2-(3,4-dichlorophenyl)pent-4-enoic acid
CID 159060521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)pent-4-enoic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)pent-4-enoic acid (CID 11447156) is (2S)-2-(4-chlorophenyl)pent-4-enoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)pent-4-enoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)pent-4-enoic acid is C=CC[C@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)pent-4-enoic acid?
The InChIKey is LLSZDJYYZJMKEO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)pent-4-enoic acid?
(2S)-2-(4-chlorophenyl)pent-4-enoic acid has a molecular weight of 210.66 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)pent-4-enoic acid is sourced from PubChem (CID 11447156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).