(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride

C11H10Cl2O2 — CID 82041781

IUPAC(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
SMILESCCOc1ccc(Cl)cc1/C=C/C(=O)Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3/b6-3+
InChIKeyABIOENQVLQLTKP-ZZXKWVIFSA-N
MW245.10 g/mol
LogP3.52
Rot. Bonds4

About (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride

(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride (PubChem CID 82041781) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
PubChem CID82041781
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
SMILESCCOc1ccc(Cl)cc1/C=C/C(=O)Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3/b6-3+
InChIKeyABIOENQVLQLTKP-ZZXKWVIFSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
(E)-3-(5-chloro-2-propan-2-yloxyphenyl)prop-2-enoyl chloride
CID 102538031
ethyl (E)-3-(5-chloro-2-propoxyphenyl)prop-2-enoate
CID 102538033
3-(3-chloro-4-ethoxyphenyl)prop-2-enoyl chloride
CID 131846945
3-[5-chloro-2-(2-methylidenebutoxy)phenyl]prop-2-enoic acid
CID 77110847
1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 131632720
ethyl (E)-3-[5-chloro-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]prop-2-enoate
CID 56930064
(3-chlorophenyl) (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate
CID 19185345
3-(2-ethoxy-5-methylphenyl)prop-2-enoic acid
CID 77011473
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
(E)-3-[5-chloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43142029
(E)-3-[5-chloro-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 43324999

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride?
The IUPAC name of (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride (CID 82041781) is (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride?
The canonical SMILES for (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride is CCOc1ccc(Cl)cc1/C=C/C(=O)Cl.
What is the InChIKey of (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride?
The InChIKey is ABIOENQVLQLTKP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3/b6-3+.
What are the key properties of (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride?
(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride has a molecular weight of 245.10 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 82041781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).