6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one

C20H16O5S — CID 162648211

IUPAC6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12
InChIInChI=1S/C20H16O5S/c1-22-13-6-7-14(23-2)19-18(13)16(24-3)9-11-12(21)10-15(25-20(11)19)17-5-4-8-26-17/h4-10H,1-3H3
InChIKeyCMWVVGFRRJMPAE-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.70
Rot. Bonds4

About 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one

6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one (PubChem CID 162648211) has the molecular formula C20H16O5S and a molecular weight of 368.41 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one
PubChem CID162648211
Molecular FormulaC20H16O5S
Molecular Weight368.41 g/mol
Exact Mass368.07
IUPAC Name6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12
InChIInChI=1S/C20H16O5S/c1-22-13-6-7-14(23-2)19-18(13)16(24-3)9-11-12(21)10-15(25-20(11)19)17-5-4-8-26-17/h4-10H,1-3H3
InChIKeyCMWVVGFRRJMPAE-UHFFFAOYSA-N
XLogP4.70
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one (CID 162648211) is 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12.
What is the InChIKey of 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one?
The InChIKey is CMWVVGFRRJMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5S/c1-22-13-6-7-14(23-2)19-18(13)16(24-3)9-11-12(21)10-15(25-20(11)19)17-5-4-8-26-17/h4-10H,1-3H3.
What are the key properties of 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one?
6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one has a molecular weight of 368.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 162648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).