(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride

C14H11ClO2S — CID 11161769

IUPAC(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride
SMILESCOc1ccc(-c2csc(/C=C/C(=O)Cl)c2)cc1
InChIInChI=1S/C14H11ClO2S/c1-17-12-4-2-10(3-5-12)11-8-13(18-9-11)6-7-14(15)16/h2-9H,1H3/b7-6+
InChIKeyIBKHOCSUOVHKGW-VOTSOKGWSA-N
MW278.76 g/mol
LogP4.20
Rot. Bonds4

About (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride

(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride (PubChem CID 11161769) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride
PubChem CID11161769
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride
SMILESCOc1ccc(-c2csc(/C=C/C(=O)Cl)c2)cc1
InChIInChI=1S/C14H11ClO2S/c1-17-12-4-2-10(3-5-12)11-8-13(18-9-11)6-7-14(15)16/h2-9H,1H3/b7-6+
InChIKeyIBKHOCSUOVHKGW-VOTSOKGWSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (E)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enoate
CID 23390270
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(2,3,4,5,6-pentafluorophenyl) 4-(4-methoxyphenyl)thiophene-2-carboxylate
CID 87804707
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262
(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 170877143
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 11311515
(1R,2S,4R)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378297
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71982590
2-ethynyl-4-(4-methoxyphenyl)thiophene
CID 171393347
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
CID 119343360
2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
CID 111573105
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride?
The IUPAC name of (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride (CID 11161769) is (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride?
The canonical SMILES for (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride is COc1ccc(-c2csc(/C=C/C(=O)Cl)c2)cc1.
What is the InChIKey of (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride?
The InChIKey is IBKHOCSUOVHKGW-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11ClO2S/c1-17-12-4-2-10(3-5-12)11-8-13(18-9-11)6-7-14(15)16/h2-9H,1H3/b7-6+.
What are the key properties of (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride?
(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride has a molecular weight of 278.76 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride is sourced from PubChem (CID 11161769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).