(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

C16H16O5S — CID 24723535

IUPAC(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C3OCCO3)s2)c1
InChIInChI=1S/C16H16O5S/c1-18-10-3-4-12(19-2)11(9-10)15(17)13-5-6-14(22-13)16-20-7-8-21-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDADKYNQHWOZMLM-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.04
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 24723535) has the molecular formula C16H16O5S and a molecular weight of 320.37 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
PubChem CID24723535
Molecular FormulaC16H16O5S
Molecular Weight320.37 g/mol
Exact Mass320.07
IUPAC Name(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C3OCCO3)s2)c1
InChIInChI=1S/C16H16O5S/c1-18-10-3-4-12(19-2)11(9-10)15(17)13-5-6-14(22-13)16-20-7-8-21-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDADKYNQHWOZMLM-UHFFFAOYSA-N
XLogP3.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone
CID 115798163
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (CID 24723535) is (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is COc1ccc(OC)c(C(=O)c2ccc(C3OCCO3)s2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is DADKYNQHWOZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5S/c1-18-10-3-4-12(19-2)11(9-10)15(17)13-5-6-14(22-13)16-20-7-8-21-16/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 320.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 24723535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).