(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid

C14H12O3S — CID 11311515

IUPAC(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1
InChIInChI=1S/C14H12O3S/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16)/b9-7+
InChIKeyCSFSWWPOAAOONW-VQHVLOKHSA-N
MW260.31 g/mol
LogP3.52
Rot. Bonds4

About (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid

(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid (PubChem CID 11311515) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
PubChem CID11311515
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1
InChIInChI=1S/C14H12O3S/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16)/b9-7+
InChIKeyCSFSWWPOAAOONW-VQHVLOKHSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 102224605
(E)-3-[5-(4-iodophenyl)thiophen-2-yl]prop-2-enoic acid
CID 43154002
1,5-bis[5-(4-methylphenyl)thiophen-2-yl]penta-1,4-dien-3-one
CID 71398985
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
(E)-3-[5-(3,5-difluorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 43331633
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid (CID 11311515) is (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid is COc1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1.
What is the InChIKey of (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid?
The InChIKey is CSFSWWPOAAOONW-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12O3S/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16)/b9-7+.
What are the key properties of (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid?
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid has a molecular weight of 260.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 11311515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).