3-methoxy-2-phenylthieno[2,3-h]chromen-4-one

C18H12O3S — CID 5274465

IUPAC3-methoxy-2-phenylthieno[2,3-h]chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2c(ccc3sccc32)c1=O
InChIInChI=1S/C18H12O3S/c1-20-18-15(19)13-7-8-14-12(9-10-22-14)17(13)21-16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDBUYIOYCBUXFSH-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.68
Rot. Bonds2

About 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one

3-methoxy-2-phenylthieno[2,3-h]chromen-4-one (PubChem CID 5274465) has the molecular formula C18H12O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one.

Molecular Properties

Compound Name3-methoxy-2-phenylthieno[2,3-h]chromen-4-one
PubChem CID5274465
Molecular FormulaC18H12O3S
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Name3-methoxy-2-phenylthieno[2,3-h]chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2c(ccc3sccc32)c1=O
InChIInChI=1S/C18H12O3S/c1-20-18-15(19)13-7-8-14-12(9-10-22-14)17(13)21-16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDBUYIOYCBUXFSH-UHFFFAOYSA-N
XLogP4.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one?
The IUPAC name of 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one (CID 5274465) is 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one.
What is the SMILES notation for 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one?
The canonical SMILES for 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one is COc1c(-c2ccccc2)oc2c(ccc3sccc32)c1=O.
What is the InChIKey of 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one?
The InChIKey is DBUYIOYCBUXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S/c1-20-18-15(19)13-7-8-14-12(9-10-22-14)17(13)21-16(18)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one?
3-methoxy-2-phenylthieno[2,3-h]chromen-4-one has a molecular weight of 308.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one is sourced from PubChem (CID 5274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).