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

C13H10O3S — CID 3588737

IUPACmethyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
InChIKeySSWWLCIIZQNEAE-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.09
Rot. Bonds1

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

methyl 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 3588737) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is methyl 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID3588737
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Namemethyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
InChIKeySSWWLCIIZQNEAE-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 2113888
2-(2-Thienyl)chromone
CID 240093
Ethyl 4-[5-(5-methyl-2-thienyl)-5-oxo-pentoxy]benzoate
CID 3007749
8-Fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 21279104
7-Methoxy-3-(thiophen-2-yl)coumarin
CID 54580315
8-Chloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 93983527
7,8,9-trifluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 125495631
9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 125495946
6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 127027976
Ethyl 6-methoxybenzo[b]thiophene-2-carboxylate
CID 11831419
3-(2-Thienyl)-2H-1-benzopyran-2-one
CID 14101461
5-(4-Methoxyphenyl)thiophene-2-carbaldehyde
CID 2797800

Frequently Asked Questions

What is the IUPAC name of methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of methyl 4H-thieno[3,2-c]chromene-2-carboxylate (CID 3588737) is methyl 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for methyl 4H-thieno[3,2-c]chromene-2-carboxylate is COC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is SSWWLCIIZQNEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3.
What are the key properties of methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
methyl 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 246.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 3588737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).