(5-bromothiophen-2-yl)-phenylmethanol

C11H9BrOS — CID 10221043

IUPAC(5-bromothiophen-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C11H9BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7,11,13H
InChIKeyMRHBYFFAPBMUKK-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.59
Rot. Bonds2

About (5-bromothiophen-2-yl)-phenylmethanol

(5-bromothiophen-2-yl)-phenylmethanol (PubChem CID 10221043) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-phenylmethanol
PubChem CID10221043
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name(5-bromothiophen-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C11H9BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7,11,13H
InChIKeyMRHBYFFAPBMUKK-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-phenylmethanol?
The IUPAC name of (5-bromothiophen-2-yl)-phenylmethanol (CID 10221043) is (5-bromothiophen-2-yl)-phenylmethanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-phenylmethanol?
The canonical SMILES for (5-bromothiophen-2-yl)-phenylmethanol is OC(c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-phenylmethanol?
The InChIKey is MRHBYFFAPBMUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7,11,13H.
What are the key properties of (5-bromothiophen-2-yl)-phenylmethanol?
(5-bromothiophen-2-yl)-phenylmethanol has a molecular weight of 269.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 10221043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).