(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone

C14H10Cl2O2S — CID 63708637

IUPAC(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C14H10Cl2O2S/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9H,5-6H2
InChIKeyYFCCAMHKUYKZEP-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.80
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone

(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone (PubChem CID 63708637) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
PubChem CID63708637
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C14H10Cl2O2S/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9H,5-6H2
InChIKeyYFCCAMHKUYKZEP-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 106761804
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 63708317
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone (CID 63708637) is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone is O=C(c1cc(Cl)sc1Cl)C1CCOc2ccccc21.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The InChIKey is YFCCAMHKUYKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9H,5-6H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone has a molecular weight of 313.21 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone is sourced from PubChem (CID 63708637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).