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

C14H14Br2OS — CID 80537952

IUPAC(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H14Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8,13,17H,2-3H2,1H3
InChIKeyWTWWBXMLYIDQJY-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.31
Rot. Bonds4

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

(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol (PubChem CID 80537952) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
PubChem CID80537952
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H14Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8,13,17H,2-3H2,1H3
InChIKeyWTWWBXMLYIDQJY-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromothiophen-2-yl)-(4-propylphenyl)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-ethylphenyl)methanol
CID 80535254
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
5-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 80536807
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 80535432
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol (CID 80537952) is (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol?
The InChIKey is WTWWBXMLYIDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8,13,17H,2-3H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol has a molecular weight of 390.14 g/mol, XLogP of 5.31, 4 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-propylphenyl)methanol is sourced from PubChem (CID 80537952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).