(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol

C15H16Br2OS — CID 115482630

IUPAC(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1CC
InChIInChI=1S/C15H16Br2OS/c1-3-9-5-6-11(7-10(9)4-2)14(18)13-8-12(16)15(17)19-13/h5-8,14,18H,3-4H2,1-2H3
InChIKeyZBDOVZQGKWLGIK-UHFFFAOYSA-N
MW404.17 g/mol
LogP5.48
Rot. Bonds4

About (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol

(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol (PubChem CID 115482630) has the molecular formula C15H16Br2OS and a molecular weight of 404.17 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
PubChem CID115482630
Molecular FormulaC15H16Br2OS
Molecular Weight404.17 g/mol
Exact Mass401.93
IUPAC Name(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1CC
InChIInChI=1S/C15H16Br2OS/c1-3-9-5-6-11(7-10(9)4-2)14(18)13-8-12(16)15(17)19-13/h5-8,14,18H,3-4H2,1-2H3
InChIKeyZBDOVZQGKWLGIK-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.17
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol (CID 115482630) is (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)c(Br)s2)cc1CC.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol?
The InChIKey is ZBDOVZQGKWLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2OS/c1-3-9-5-6-11(7-10(9)4-2)14(18)13-8-12(16)15(17)19-13/h5-8,14,18H,3-4H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol has a molecular weight of 404.17 g/mol, XLogP of 5.48, 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)-(3,4-diethylphenyl)methanol is sourced from PubChem (CID 115482630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).