(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

C15H16O3S — CID 114971223

IUPAC(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(C)s2)c(OC)c1
InChIInChI=1S/C15H16O3S/c1-9-7-14(19-10(9)2)15(16)12-6-5-11(17-3)8-13(12)18-4/h5-8H,1-4H3
InChIKeyOPKLRKKYTNTAJK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.61
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 114971223) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID114971223
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(C)s2)c(OC)c1
InChIInChI=1S/C15H16O3S/c1-9-7-14(19-10(9)2)15(16)12-6-5-11(17-3)8-13(12)18-4/h5-8H,1-4H3
InChIKeyOPKLRKKYTNTAJK-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114971200
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
2,4-dimethoxybenzoate
CID 6947027
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 114971223) is (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is COc1ccc(C(=O)c2cc(C)c(C)s2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is OPKLRKKYTNTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-9-7-14(19-10(9)2)15(16)12-6-5-11(17-3)8-13(12)18-4/h5-8H,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 114971223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).