(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol

C15H15BrO2S — CID 79990942

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESCc1cc(C(O)C2CCOc3ccccc32)sc1Br
InChIInChI=1S/C15H15BrO2S/c1-9-8-13(19-15(9)16)14(17)11-6-7-18-12-5-3-2-4-10(11)12/h2-5,8,11,14,17H,6-7H2,1H3
InChIKeyFJMIVSMEMNOZSZ-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.42
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol

(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol (PubChem CID 79990942) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
PubChem CID79990942
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESCc1cc(C(O)C2CCOc3ccccc32)sc1Br
InChIInChI=1S/C15H15BrO2S/c1-9-8-13(19-15(9)16)14(17)11-6-7-18-12-5-3-2-4-10(11)12/h2-5,8,11,14,17H,6-7H2,1H3
InChIKeyFJMIVSMEMNOZSZ-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-bromo-4-methylthiophen-2-yl)methanol
CID 79991787
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
4-[bromo-(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 63708837
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
4-[chloro-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 55226474
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831962
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709562
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol (CID 79990942) is (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol is Cc1cc(C(O)C2CCOc3ccccc32)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The InChIKey is FJMIVSMEMNOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-9-8-13(19-15(9)16)14(17)11-6-7-18-12-5-3-2-4-10(11)12/h2-5,8,11,14,17H,6-7H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol has a molecular weight of 339.25 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol is sourced from PubChem (CID 79990942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).