(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol

C13H12Br2OS — CID 114021565

IUPAC(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
SMILESCc1cc(C(O)c2csc(Br)c2)c(C)cc1Br
InChIInChI=1S/C13H12Br2OS/c1-7-4-11(14)8(2)3-10(7)13(16)9-5-12(15)17-6-9/h3-6,13,16H,1-2H3
InChIKeyCFRNPVUPEGAGFU-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.97
Rot. Bonds2

About (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol

(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol (PubChem CID 114021565) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
PubChem CID114021565
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
SMILESCc1cc(C(O)c2csc(Br)c2)c(C)cc1Br
InChIInChI=1S/C13H12Br2OS/c1-7-4-11(14)8(2)3-10(7)13(16)9-5-12(15)17-6-9/h3-6,13,16H,1-2H3
InChIKeyCFRNPVUPEGAGFU-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 114021555
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
CID 114374820
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(4-bromo-2,5-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693204
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536
2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol (CID 114021565) is (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol is Cc1cc(C(O)c2csc(Br)c2)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol?
The InChIKey is CFRNPVUPEGAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-7-4-11(14)8(2)3-10(7)13(16)9-5-12(15)17-6-9/h3-6,13,16H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol?
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol has a molecular weight of 376.11 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol is sourced from PubChem (CID 114021565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).