2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C14H13BrO3S — CID 114714221

IUPAC2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1sccc1Br)CC2O
InChIInChI=1S/C14H13BrO3S/c1-17-8-2-3-9-11(16)7-13(18-12(9)6-8)14-10(15)4-5-19-14/h2-6,11,13,16H,7H2,1H3
InChIKeyFMPNRKNVZFWYQB-UHFFFAOYSA-N
MW341.23 g/mol
LogP4.08
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714221) has the molecular formula C14H13BrO3S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714221
Molecular FormulaC14H13BrO3S
Molecular Weight341.23 g/mol
Exact Mass339.98
IUPAC Name2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1sccc1Br)CC2O
InChIInChI=1S/C14H13BrO3S/c1-17-8-2-3-9-11(16)7-13(18-12(9)6-8)14-10(15)4-5-19-14/h2-6,11,13,16H,7H2,1H3
InChIKeyFMPNRKNVZFWYQB-UHFFFAOYSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102845963
(4S)-6-bromo-2-(3-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951117
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
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
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114714221) is 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1sccc1Br)CC2O.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FMPNRKNVZFWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3S/c1-17-8-2-3-9-11(16)7-13(18-12(9)6-8)14-10(15)4-5-19-14/h2-6,11,13,16H,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 341.23 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).