ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate

C15H14O3S — CID 4054771

IUPACethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2
InChIInChI=1S/C15H14O3S/c1-3-17-15(16)12-7-10-8-18-11-6-4-5-9(2)13(11)14(10)19-12/h4-7H,3,8H2,1-2H3
InChIKeyUUENXUIAROVCJW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.79
Rot. Bonds2

About ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate

ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 4054771) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID4054771
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Nameethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2
InChIInChI=1S/C15H14O3S/c1-3-17-15(16)12-7-10-8-18-11-6-4-5-9(2)13(11)14(10)19-12/h4-7H,3,8H2,1-2H3
InChIKeyUUENXUIAROVCJW-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate (CID 4054771) is ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate is CCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2.
What is the InChIKey of ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is UUENXUIAROVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-3-17-15(16)12-7-10-8-18-11-6-4-5-9(2)13(11)14(10)19-12/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate?
ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 4054771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).