6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid

C14H12O3S — CID 86299364

IUPAC6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESCc1cc(C)c2c(c1)-c1sc(C(=O)O)cc1CO2
InChIInChI=1S/C14H12O3S/c1-7-3-8(2)12-10(4-7)13-9(6-17-12)5-11(18-13)14(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyIMTCBJQKYXNMRV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.62
Rot. Bonds1

About 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid

6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 86299364) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID86299364
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESCc1cc(C)c2c(c1)-c1sc(C(=O)O)cc1CO2
InChIInChI=1S/C14H12O3S/c1-7-3-8(2)12-10(4-7)13-9(6-17-12)5-11(18-13)14(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyIMTCBJQKYXNMRV-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
CID 23117352
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
CID 137369706
1-(6,8-dimethyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-2-methylpropan-1-one
CID 11173641
N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 143267957
6-chloro-7-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
CID 137370289
6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide
CID 86299365
5-(1,3-dihydro-2-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79996984
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-(3-fluoro-5-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 79989747
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
7,9-difluoro-4H-thieno[3,2-c]chromene-2-carboxamide;7,9-difluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 157466643
4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 78973991

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 86299364) is 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid is Cc1cc(C)c2c(c1)-c1sc(C(=O)O)cc1CO2.
What is the InChIKey of 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is IMTCBJQKYXNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-7-3-8(2)12-10(4-7)13-9(6-17-12)5-11(18-13)14(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 86299364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).