(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

C22H18O5S — CID 7253094

IUPAC(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H18O5S/c1-13(23)14-7-8-18(25-2)15(9-14)11-27-22(24)20-10-16-12-26-19-6-4-3-5-17(19)21(16)28-20/h3-10H,11-12H2,1-2H3
InChIKeyUQLCBFJSOKJINY-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.88
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7253094) has the molecular formula C22H18O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7253094
Molecular FormulaC22H18O5S
Molecular Weight394.45 g/mol
Exact Mass394.09
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H18O5S/c1-13(23)14-7-8-18(25-2)15(9-14)11-27-22(24)20-10-16-12-26-19-6-4-3-5-17(19)21(16)28-20/h3-10H,11-12H2,1-2H3
InChIKeyUQLCBFJSOKJINY-UHFFFAOYSA-N
XLogP4.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18147272
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
[2-(4-acetamidoanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512837
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512773
(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 27910124
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620154
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18279088
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620164

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7253094) is (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is UQLCBFJSOKJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5S/c1-13(23)14-7-8-18(25-2)15(9-14)11-27-22(24)20-10-16-12-26-19-6-4-3-5-17(19)21(16)28-20/h3-10H,11-12H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7253094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).