2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one

C15H14O2S — CID 114671481

IUPAC2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3ccccc3O2)c(C)s1
InChIInChI=1S/C15H14O2S/c1-9-7-12(10(2)18-9)15-8-13(16)11-5-3-4-6-14(11)17-15/h3-7,15H,8H2,1-2H3
InChIKeyZHNILNVPEPOHBC-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.07
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one

2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one (PubChem CID 114671481) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one
PubChem CID114671481
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3ccccc3O2)c(C)s1
InChIInChI=1S/C15H14O2S/c1-9-7-12(10(2)18-9)15-8-13(16)11-5-3-4-6-14(11)17-15/h3-7,15H,8H2,1-2H3
InChIKeyZHNILNVPEPOHBC-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 164998452
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
[3-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]boronic acid
CID 71504747

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one (CID 114671481) is 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one is Cc1cc(C2CC(=O)c3ccccc3O2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one?
The InChIKey is ZHNILNVPEPOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-9-7-12(10(2)18-9)15-8-13(16)11-5-3-4-6-14(11)17-15/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one?
2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one has a molecular weight of 258.34 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114671481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).