(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol

C11H8BrClOS — CID 115805570

IUPAC(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cccc(Br)c1Cl
InChIInChI=1S/C11H8BrClOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-6,11,14H
InChIKeyYSPHPOUNCSEHBA-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.25
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol

(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol (PubChem CID 115805570) has the molecular formula C11H8BrClOS and a molecular weight of 303.61 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
PubChem CID115805570
Molecular FormulaC11H8BrClOS
Molecular Weight303.61 g/mol
Exact Mass301.92
IUPAC Name(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cccc(Br)c1Cl
InChIInChI=1S/C11H8BrClOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-6,11,14H
InChIKeyYSPHPOUNCSEHBA-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
quinoxalin-5-yl(thiophen-3-yl)methanol
CID 105102725
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol (CID 115805570) is (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol?
The InChIKey is YSPHPOUNCSEHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-6,11,14H.
What are the key properties of (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol?
(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol has a molecular weight of 303.61 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 115805570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).