(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol

C12H9BrClFOS — CID 81045617

IUPAC(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Br)s2)c(Cl)cc1F
InChIInChI=1S/C12H9BrClFOS/c1-6-4-7(8(14)5-9(6)15)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3
InChIKeyGNVVSRALKYRFHT-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.69
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol

(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol (PubChem CID 81045617) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
PubChem CID81045617
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Br)s2)c(Cl)cc1F
InChIInChI=1S/C12H9BrClFOS/c1-6-4-7(8(14)5-9(6)15)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3
InChIKeyGNVVSRALKYRFHT-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol (CID 81045617) is (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2ccc(Br)s2)c(Cl)cc1F.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The InChIKey is GNVVSRALKYRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c1-6-4-7(8(14)5-9(6)15)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol has a molecular weight of 335.63 g/mol, XLogP of 4.69, 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)-(2-chloro-4-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 81045617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).