2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol

C14H14BrClO3S — CID 62608419

IUPAC2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cc(Br)cs2)cc(Cl)c1OC
InChIInChI=1S/C14H14BrClO3S/c1-18-13-4-8(3-11(16)14(13)19-2)12(17)6-10-5-9(15)7-20-10/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCHQMISYQSCPHAG-UHFFFAOYSA-N
MW377.69 g/mol
LogP4.46
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol

2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol (PubChem CID 62608419) has the molecular formula C14H14BrClO3S and a molecular weight of 377.69 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
PubChem CID62608419
Molecular FormulaC14H14BrClO3S
Molecular Weight377.69 g/mol
Exact Mass375.95
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cc(Br)cs2)cc(Cl)c1OC
InChIInChI=1S/C14H14BrClO3S/c1-18-13-4-8(3-11(16)14(13)19-2)12(17)6-10-5-9(15)7-20-10/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCHQMISYQSCPHAG-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79824429
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
CID 65146016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol (CID 62608419) is 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol is COc1cc(C(O)Cc2cc(Br)cs2)cc(Cl)c1OC.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol?
The InChIKey is CHQMISYQSCPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO3S/c1-18-13-4-8(3-11(16)14(13)19-2)12(17)6-10-5-9(15)7-20-10/h3-5,7,12,17H,6H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol has a molecular weight of 377.69 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 62608419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).