(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone

C16H18O4S — CID 81160018

IUPAC(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2sc(C)cc2C)cc1OC
InChIInChI=1S/C16H18O4S/c1-9-6-10(2)21-16(9)15(17)11-7-13(19-4)14(20-5)8-12(11)18-3/h6-8H,1-5H3
InChIKeyWOBXHAWBEMGBKV-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.62
Rot. Bonds5

About (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone

(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 81160018) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
PubChem CID81160018
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2sc(C)cc2C)cc1OC
InChIInChI=1S/C16H18O4S/c1-9-6-10(2)21-16(9)15(17)11-7-13(19-4)14(20-5)8-12(11)18-3/h6-8H,1-5H3
InChIKeyWOBXHAWBEMGBKV-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81158203
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
3-methoxy-5-methylthiophene-2-carbonyl chloride
CID 45081654
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81155980
(3,5-dimethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 81155979
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone (CID 81160018) is (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)c2sc(C)cc2C)cc1OC.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is WOBXHAWBEMGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-6-10(2)21-16(9)15(17)11-7-13(19-4)14(20-5)8-12(11)18-3/h6-8H,1-5H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone?
(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 306.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 81160018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).