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

C12H10BrFO2S — CID 103396042

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1cccs1
InChIInChI=1S/C12H10BrFO2S/c1-16-10-6-9(14)8(13)5-7(10)12(15)11-3-2-4-17-11/h2-6,12,15H,1H3
InChIKeySASYIPNHAHBVLE-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.74
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol

(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol (PubChem CID 103396042) has the molecular formula C12H10BrFO2S and a molecular weight of 317.18 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
PubChem CID103396042
Molecular FormulaC12H10BrFO2S
Molecular Weight317.18 g/mol
Exact Mass315.96
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1cccs1
InChIInChI=1S/C12H10BrFO2S/c1-16-10-6-9(14)8(13)5-7(10)12(15)11-3-2-4-17-11/h2-6,12,15H,1H3
InChIKeySASYIPNHAHBVLE-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 103396524
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396331
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol (CID 103396042) is (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol is COc1cc(F)c(Br)cc1C(O)c1cccs1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The InChIKey is SASYIPNHAHBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2S/c1-16-10-6-9(14)8(13)5-7(10)12(15)11-3-2-4-17-11/h2-6,12,15H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol has a molecular weight of 317.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 103396042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).