(2-chlorophenyl) pent-4-enoate

C11H11ClO2 — CID 66826844

IUPAC(2-chlorophenyl) pent-4-enoate
SMILESC=CCCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-3-8-11(13)14-10-7-5-4-6-9(10)12/h2,4-7H,1,3,8H2
InChIKeyJFJKZYWKHCKEQH-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.21
Rot. Bonds4

About (2-chlorophenyl) pent-4-enoate

(2-chlorophenyl) pent-4-enoate (PubChem CID 66826844) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2-chlorophenyl) pent-4-enoate.

Molecular Properties

Compound Name(2-chlorophenyl) pent-4-enoate
PubChem CID66826844
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(2-chlorophenyl) pent-4-enoate
SMILESC=CCCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-3-8-11(13)14-10-7-5-4-6-9(10)12/h2,4-7H,1,3,8H2
InChIKeyJFJKZYWKHCKEQH-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 3-aminopropanoate
CID 82112337
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
(2-chlorophenyl) (Z)-octadec-9-enoate
CID 70379833
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2-formylphenyl) hept-6-enoate
CID 87432029
(2-chlorophenyl) N-ethenylcarbamate
CID 71409284
1-O-(2,3-dichlorophenyl) 4-O-hepta-1,6-dien-4-yl butanedioate
CID 91700726
thiophen-2-yl pent-4-enoate
CID 174368768
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
(2-chlorophenyl) 3-(3-fluorophenyl)propanoate
CID 78829873
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) pent-4-enoate?
The IUPAC name of (2-chlorophenyl) pent-4-enoate (CID 66826844) is (2-chlorophenyl) pent-4-enoate.
What is the SMILES notation for (2-chlorophenyl) pent-4-enoate?
The canonical SMILES for (2-chlorophenyl) pent-4-enoate is C=CCCC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) pent-4-enoate?
The InChIKey is JFJKZYWKHCKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-8-11(13)14-10-7-5-4-6-9(10)12/h2,4-7H,1,3,8H2.
What are the key properties of (2-chlorophenyl) pent-4-enoate?
(2-chlorophenyl) pent-4-enoate has a molecular weight of 210.66 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) pent-4-enoate is sourced from PubChem (CID 66826844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).