(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol

C13H12Br2OS — CID 81474094

IUPAC(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cc(Br)c(C(O)c2cscc2C)cc1Br
InChIInChI=1S/C13H12Br2OS/c1-7-3-12(15)9(4-11(7)14)13(16)10-6-17-5-8(10)2/h3-6,13,16H,1-2H3
InChIKeyPGCKCAXWDMBVJQ-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.97
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol

(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol (PubChem CID 81474094) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
PubChem CID81474094
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cc(Br)c(C(O)c2cscc2C)cc1Br
InChIInChI=1S/C13H12Br2OS/c1-7-3-12(15)9(4-11(7)14)13(16)10-6-17-5-8(10)2/h3-6,13,16H,1-2H3
InChIKeyPGCKCAXWDMBVJQ-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

(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 105057003
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 81473551
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
CID 81473148
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol (CID 81474094) is (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol is Cc1cc(Br)c(C(O)c2cscc2C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is PGCKCAXWDMBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-7-3-12(15)9(4-11(7)14)13(16)10-6-17-5-8(10)2/h3-6,13,16H,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol?
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-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 (2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 81474094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).