(E)-3-(2,3-dichlorophenyl)prop-2-enoate

C9H5Cl2O2- — CID 2063719

IUPAC(E)-3-(2,3-dichlorophenyl)prop-2-enoate
SMILESO=C([O-])/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/p-1/b5-4+
InChIKeyRCEWIEGWGDHVNK-SNAWJCMRSA-M
MW216.04 g/mol
LogP1.76
Rot. Bonds2

About (E)-3-(2,3-dichlorophenyl)prop-2-enoate

(E)-3-(2,3-dichlorophenyl)prop-2-enoate (PubChem CID 2063719) has the molecular formula C9H5Cl2O2- and a molecular weight of 216.04 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)prop-2-enoate
PubChem CID2063719
Molecular FormulaC9H5Cl2O2-
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name(E)-3-(2,3-dichlorophenyl)prop-2-enoate
SMILESO=C([O-])/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/p-1/b5-4+
InChIKeyRCEWIEGWGDHVNK-SNAWJCMRSA-M
XLogP1.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 51.76
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

(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
(4-azaniumylpiperazin-1-yl)azanium;bis((E)-3-(2-chlorophenyl)prop-2-enoate)
CID 6433758
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dihydroxypyrrolidin-1-yl)prop-2-en-1-one
CID 106671313
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76940070

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)prop-2-enoate?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)prop-2-enoate (CID 2063719) is (E)-3-(2,3-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)prop-2-enoate?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)prop-2-enoate is O=C([O-])/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)prop-2-enoate?
The InChIKey is RCEWIEGWGDHVNK-SNAWJCMRSA-M. The full InChI is InChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/p-1/b5-4+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)prop-2-enoate?
(E)-3-(2,3-dichlorophenyl)prop-2-enoate has a molecular weight of 216.04 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 2063719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).