(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone

C15H16OS — CID 43161427

IUPAC(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)17-12(14)4/h5-8H,1-4H3
InChIKeyAKZXVQPDTCLOAV-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.21
Rot. Bonds2

About (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone

(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43161427) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43161427
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)17-12(14)4/h5-8H,1-4H3
InChIKeyAKZXVQPDTCLOAV-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
bis(3,5-dimethylphenyl)methanone
CID 15640171
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
CID 114989358
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 43161427) is (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C)cc(C(=O)c2cc(C)sc2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is AKZXVQPDTCLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)17-12(14)4/h5-8H,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 244.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43161427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).