2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C15H15BrO3S — CID 102845963

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(C)s1)CC2O
InChIInChI=1S/C15H15BrO3S/c1-8-11(16)6-15(20-8)14-7-12(17)10-4-3-9(18-2)5-13(10)19-14/h3-6,12,14,17H,7H2,1-2H3
InChIKeyDDKZHLSPHCIENJ-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.38
Rot. Bonds2

About 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102845963) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID102845963
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(C)s1)CC2O
InChIInChI=1S/C15H15BrO3S/c1-8-11(16)6-15(20-8)14-7-12(17)10-4-3-9(18-2)5-13(10)19-14/h3-6,12,14,17H,7H2,1-2H3
InChIKeyDDKZHLSPHCIENJ-UHFFFAOYSA-N
XLogP4.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714221
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4S)-7-bromo-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 102846006
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 102845963) is 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1cc(Br)c(C)s1)CC2O.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DDKZHLSPHCIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3S/c1-8-11(16)6-15(20-8)14-7-12(17)10-4-3-9(18-2)5-13(10)19-14/h3-6,12,14,17H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 355.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).