3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone

C15H14O2S — CID 79991091

IUPAC3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1COc2ccccc2C1
InChIInChI=1S/C15H14O2S/c1-10-6-7-18-15(10)14(16)12-8-11-4-2-3-5-13(11)17-9-12/h2-7,12H,8-9H2,1H3
InChIKeyTTYJALPAOMMPIM-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.49
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 79991091) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
PubChem CID79991091
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1COc2ccccc2C1
InChIInChI=1S/C15H14O2S/c1-10-6-7-18-15(10)14(16)12-8-11-4-2-3-5-13(11)17-9-12/h2-7,12H,8-9H2,1H3
InChIKeyTTYJALPAOMMPIM-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
3,4-dihydro-2H-chromen-3-yl-(2,4-dimethylphenyl)methanone
CID 65406634
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95964792
(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549723
methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate
CID 106946569
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97281473

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone (CID 79991091) is 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)C1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is TTYJALPAOMMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-6-7-18-15(10)14(16)12-8-11-4-2-3-5-13(11)17-9-12/h2-7,12H,8-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 258.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79991091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).