(3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol

C12H10BrFO2S — CID 22927203

IUPAC(3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1c(Br)ccc(F)c1C(O)c1cccs1
InChIInChI=1S/C12H10BrFO2S/c1-16-12-7(13)4-5-8(14)10(12)11(15)9-3-2-6-17-9/h2-6,11,15H,1H3
InChIKeyLMNZBGMIDBEHJD-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.74
Rot. Bonds3

About (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol

(3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol (PubChem CID 22927203) has the molecular formula C12H10BrFO2S and a molecular weight of 317.18 g/mol. Its IUPAC name is (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
PubChem CID22927203
Molecular FormulaC12H10BrFO2S
Molecular Weight317.18 g/mol
Exact Mass315.96
IUPAC Name(3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
SMILESCOc1c(Br)ccc(F)c1C(O)c1cccs1
InChIInChI=1S/C12H10BrFO2S/c1-16-12-7(13)4-5-8(14)10(12)11(15)9-3-2-6-17-9/h2-6,11,15H,1H3
InChIKeyLMNZBGMIDBEHJD-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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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol (CID 22927203) is (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol is COc1c(Br)ccc(F)c1C(O)c1cccs1.
What is the InChIKey of (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
The InChIKey is LMNZBGMIDBEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2S/c1-16-12-7(13)4-5-8(14)10(12)11(15)9-3-2-6-17-9/h2-6,11,15H,1H3.
What are the key properties of (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol?
(3-bromo-6-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 (3-bromo-6-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 22927203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).