methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate

C28H24O6S — CID 15883927

IUPACmethyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2sccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1OC)O2
InChIInChI=1S/C28H24O6S/c1-30-18-7-5-17(6-8-18)28(23-10-9-19(31-2)15-24(23)32-3)13-11-20-22(27(29)33-4)16-25-21(12-14-35-25)26(20)34-28/h5-16H,1-4H3
InChIKeyDSEZZDMXYMVKSF-UHFFFAOYSA-N
MW488.56 g/mol
LogP6.06
Rot. Bonds6

About methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate

methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate (PubChem CID 15883927) has the molecular formula C28H24O6S and a molecular weight of 488.56 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
PubChem CID15883927
Molecular FormulaC28H24O6S
Molecular Weight488.56 g/mol
Exact Mass488.13
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2sccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1OC)O2
InChIInChI=1S/C28H24O6S/c1-30-18-7-5-17(6-8-18)28(23-10-9-19(31-2)15-24(23)32-3)13-11-20-22(27(29)33-4)16-25-21(12-14-35-25)26(20)34-28/h5-16H,1-4H3
InChIKeyDSEZZDMXYMVKSF-UHFFFAOYSA-N
XLogP6.06
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 70189268
methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 69440282
methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
CID 142000328
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
methyl 9-(dimethylamino)-2-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 21076405
methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
CID 156852937
methyl 4-[5-(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]benzoate
CID 168851900
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-phenyl-8-[(4-phenylphenyl)carbamoyl]benzo[h]chromene-5-carboxylate
CID 66995549
2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid
CID 70233183
methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 22895158

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate (CID 15883927) is methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate is COC(=O)c1cc2sccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1OC)O2.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate?
The InChIKey is DSEZZDMXYMVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6S/c1-30-18-7-5-17(6-8-18)28(23-10-9-19(31-2)15-24(23)32-3)13-11-20-22(27(29)33-4)16-25-21(12-14-35-25)26(20)34-28/h5-16H,1-4H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate?
methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate has a molecular weight of 488.56 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate is sourced from PubChem (CID 15883927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).