(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol

C12H11BrO2S — CID 115369724

IUPAC(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1cc(Br)ccc1C(O)c1cccs1
InChIInChI=1S/C12H11BrO2S/c1-15-10-7-8(13)4-5-9(10)12(14)11-3-2-6-16-11/h2-7,12,14H,1H3
InChIKeyNSYDFLWOTQVBSX-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.60
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol

(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol (PubChem CID 115369724) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
PubChem CID115369724
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1cc(Br)ccc1C(O)c1cccs1
InChIInChI=1S/C12H11BrO2S/c1-15-10-7-8(13)4-5-9(10)12(14)11-3-2-6-16-11/h2-7,12,14H,1H3
InChIKeyNSYDFLWOTQVBSX-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807569
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
CID 115369760
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromo-2-methoxyphenyl)-(4-butan-2-ylphenyl)methanol
CID 115369721

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol (CID 115369724) is (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol is COc1cc(Br)ccc1C(O)c1cccs1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol?
The InChIKey is NSYDFLWOTQVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c1-15-10-7-8(13)4-5-9(10)12(14)11-3-2-6-16-11/h2-7,12,14H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol?
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol has a molecular weight of 299.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 115369724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).