(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol

C13H12Br2OS — CID 80535254

IUPAC(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H12Br2OS/c1-2-8-3-5-9(6-4-8)12(16)11-7-10(14)13(15)17-11/h3-7,12,16H,2H2,1H3
InChIKeyNIJVRJVQVQBTQJ-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.92
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol

(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol (PubChem CID 80535254) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
PubChem CID80535254
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H12Br2OS/c1-2-8-3-5-9(6-4-8)12(16)11-7-10(14)13(15)17-11/h3-7,12,16H,2H2,1H3
InChIKeyNIJVRJVQVQBTQJ-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
CID 80537952
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
CID 102829560
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
5-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 80536807

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol (CID 80535254) is (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol?
The InChIKey is NIJVRJVQVQBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-2-8-3-5-9(6-4-8)12(16)11-7-10(14)13(15)17-11/h3-7,12,16H,2H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol has a molecular weight of 376.11 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol is sourced from PubChem (CID 80535254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).