(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol

C14H15BrOS — CID 81111173

IUPAC(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1ccc(Br)c(C(O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15BrOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7,14,16H,1-3H3
InChIKeyXKSXSILTCAUYSZ-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.52
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol

(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 81111173) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID81111173
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1ccc(Br)c(C(O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15BrOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7,14,16H,1-3H3
InChIKeyXKSXSILTCAUYSZ-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 81110568
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61088539
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(2-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817855
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 114684275
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
5-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-2-methylthiophene
CID 81116910
1-(2-bromo-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171863103
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 81111283

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol (CID 81111173) is (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol is Cc1ccc(Br)c(C(O)c2cc(C)sc2C)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is XKSXSILTCAUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7,14,16H,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol?
(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 311.24 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 81111173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).