2-(2-chlorophenyl)ethyl prop-2-enoate

C11H11ClO2 — CID 18316827

IUPAC2-(2-chlorophenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-11(13)14-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyMYKCFTANKWJWDH-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-chlorophenyl)ethyl prop-2-enoate

2-(2-chlorophenyl)ethyl prop-2-enoate (PubChem CID 18316827) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl prop-2-enoate
PubChem CID18316827
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(2-chlorophenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-11(13)14-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyMYKCFTANKWJWDH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
CID 91061746
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
CID 150969987
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
CID 23219499
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;sulfuric acid
CID 67537228
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-chlorophenyl)ethyl prop-2-enoate (CID 18316827) is 2-(2-chlorophenyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl prop-2-enoate?
The InChIKey is MYKCFTANKWJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-11(13)14-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2.
What are the key properties of 2-(2-chlorophenyl)ethyl prop-2-enoate?
2-(2-chlorophenyl)ethyl prop-2-enoate has a molecular weight of 210.66 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl prop-2-enoate is sourced from PubChem (CID 18316827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).