(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C14H12BrClO3S — CID 102846024

IUPAC(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1cc(Br)c(Cl)s1)O2
InChIInChI=1S/C14H12BrClO3S/c1-18-7-2-3-11-8(4-7)10(17)6-12(19-11)13-5-9(15)14(16)20-13/h2-5,10,12,17H,6H2,1H3/t10-,12?/m1/s1
InChIKeyDBWNRUAOLMXBEN-RWANSRKNSA-N
MW375.67 g/mol
LogP4.73
Rot. Bonds2

About (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102846024) has the molecular formula C14H12BrClO3S and a molecular weight of 375.67 g/mol. Its IUPAC name is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID102846024
Molecular FormulaC14H12BrClO3S
Molecular Weight375.67 g/mol
Exact Mass373.94
IUPAC Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1cc(Br)c(Cl)s1)O2
InChIInChI=1S/C14H12BrClO3S/c1-18-7-2-3-11-8(4-7)10(17)6-12(19-11)13-5-9(15)14(16)20-13/h2-5,10,12,17H,6H2,1H3/t10-,12?/m1/s1
InChIKeyDBWNRUAOLMXBEN-RWANSRKNSA-N
XLogP4.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
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-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102845963
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 102846024) is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@H](O)CC(c1cc(Br)c(Cl)s1)O2.
What is the InChIKey of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DBWNRUAOLMXBEN-RWANSRKNSA-N. The full InChI is InChI=1S/C14H12BrClO3S/c1-18-7-2-3-11-8(4-7)10(17)6-12(19-11)13-5-9(15)14(16)20-13/h2-5,10,12,17H,6H2,1H3/t10-,12?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 375.67 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102846024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).