(3-chlorophenyl) prop-2-enoate

C9H7ClO2 — CID 10241458

IUPAC(3-chlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C9H7ClO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2
InChIKeyQGLITNZASFCEKC-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.43
Rot. Bonds2

About (3-chlorophenyl) prop-2-enoate

(3-chlorophenyl) prop-2-enoate (PubChem CID 10241458) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is (3-chlorophenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-chlorophenyl) prop-2-enoate
PubChem CID10241458
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name(3-chlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C9H7ClO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2
InChIKeyQGLITNZASFCEKC-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
(3-chlorophenyl) 3-methylbut-2-enoate
CID 12733013
[3-(4-chloro-N-(3-prop-2-enoyloxyphenyl)anilino)phenyl] prop-2-enoate
CID 59832753
(3-fluorophenyl) prop-2-enoate
CID 21098293
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
1-O-(3-chlorophenyl) 4-O-(2,5-dichlorophenyl) (E)-but-2-enedioate
CID 91734075

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) prop-2-enoate?
The IUPAC name of (3-chlorophenyl) prop-2-enoate (CID 10241458) is (3-chlorophenyl) prop-2-enoate.
What is the SMILES notation for (3-chlorophenyl) prop-2-enoate?
The canonical SMILES for (3-chlorophenyl) prop-2-enoate is C=CC(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) prop-2-enoate?
The InChIKey is QGLITNZASFCEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2.
What are the key properties of (3-chlorophenyl) prop-2-enoate?
(3-chlorophenyl) prop-2-enoate has a molecular weight of 182.61 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) prop-2-enoate is sourced from PubChem (CID 10241458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).