1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol

C14H15BrO3S — CID 65146026

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
SMILESCOc1cc(Br)c(C(O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H15BrO3S/c1-17-13-7-10(11(15)8-14(13)18-2)12(16)6-9-4-3-5-19-9/h3-5,7-8,12,16H,6H2,1-2H3
InChIKeyDCIDKMXHFFKMTM-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol

1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol (PubChem CID 65146026) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
PubChem CID65146026
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
SMILESCOc1cc(Br)c(C(O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H15BrO3S/c1-17-13-7-10(11(15)8-14(13)18-2)12(16)6-9-4-3-5-19-9/h3-5,7-8,12,16H,6H2,1-2H3
InChIKeyDCIDKMXHFFKMTM-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380356
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol (CID 65146026) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol is COc1cc(Br)c(C(O)Cc2cccs2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The InChIKey is DCIDKMXHFFKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c1-17-13-7-10(11(15)8-14(13)18-2)12(16)6-9-4-3-5-19-9/h3-5,7-8,12,16H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol?
1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol has a molecular weight of 343.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 65146026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).