(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol

C13H13BrO3S — CID 61081568

IUPAC(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrO3S/c1-16-8-4-3-5-9(17-2)12(8)13(15)10-6-7-11(14)18-10/h3-7,13,15H,1-2H3
InChIKeyZDGOKDCESSJYLE-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.61
Rot. Bonds4

About (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol

(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 61081568) has the molecular formula C13H13BrO3S and a molecular weight of 329.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
PubChem CID61081568
Molecular FormulaC13H13BrO3S
Molecular Weight329.22 g/mol
Exact Mass327.98
IUPAC Name(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrO3S/c1-16-8-4-3-5-9(17-2)12(8)13(15)10-6-7-11(14)18-10/h3-7,13,15H,1-2H3
InChIKeyZDGOKDCESSJYLE-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
1-[(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3910684
1-[(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3800936
(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153269
(1R)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397564
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
(4-bromo-3-methoxyanilino)-(5-bromothiophen-2-yl)methanol
CID 167190299
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809674
(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 61086892

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol (CID 61081568) is (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is ZDGOKDCESSJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3S/c1-16-8-4-3-5-9(17-2)12(8)13(15)10-6-7-11(14)18-10/h3-7,13,15H,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 329.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 61081568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).