(4,5-dibromothiophen-2-yl)-phenylmethanol

C11H8Br2OS — CID 13419058

IUPAC(4,5-dibromothiophen-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2OS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6,10,14H
InChIKeyPIDNWIJJOJZYKR-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.35
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-phenylmethanol

(4,5-dibromothiophen-2-yl)-phenylmethanol (PubChem CID 13419058) has the molecular formula C11H8Br2OS and a molecular weight of 348.06 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-phenylmethanol
PubChem CID13419058
Molecular FormulaC11H8Br2OS
Molecular Weight348.06 g/mol
Exact Mass345.87
IUPAC Name(4,5-dibromothiophen-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2OS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6,10,14H
InChIKeyPIDNWIJJOJZYKR-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-phenylmethanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-phenylmethanol (CID 13419058) is (4,5-dibromothiophen-2-yl)-phenylmethanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-phenylmethanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-phenylmethanol is OC(c1ccccc1)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-phenylmethanol?
The InChIKey is PIDNWIJJOJZYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6,10,14H.
What are the key properties of (4,5-dibromothiophen-2-yl)-phenylmethanol?
(4,5-dibromothiophen-2-yl)-phenylmethanol has a molecular weight of 348.06 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 13419058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).