(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol

C15H16BrClO3S — CID 80644142

IUPAC(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCCOc1cc(Br)c(C(O)c2sccc2Cl)cc1OCC
InChIInChI=1S/C15H16BrClO3S/c1-3-19-12-7-9(10(16)8-13(12)20-4-2)14(18)15-11(17)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3
InChIKeyDWFYJKDFICGMPH-UHFFFAOYSA-N
MW391.71 g/mol
LogP5.04
Rot. Bonds6

About (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol

(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80644142) has the molecular formula C15H16BrClO3S and a molecular weight of 391.71 g/mol. Its IUPAC name is (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80644142
Molecular FormulaC15H16BrClO3S
Molecular Weight391.71 g/mol
Exact Mass389.97
IUPAC Name(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCCOc1cc(Br)c(C(O)c2sccc2Cl)cc1OCC
InChIInChI=1S/C15H16BrClO3S/c1-3-19-12-7-9(10(16)8-13(12)20-4-2)14(18)15-11(17)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3
InChIKeyDWFYJKDFICGMPH-UHFFFAOYSA-N
XLogP5.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.71
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)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

(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
N-[(3-bromo-4-ethoxyphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657711
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 105057093
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
2-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441726

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol (CID 80644142) is (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol is CCOc1cc(Br)c(C(O)c2sccc2Cl)cc1OCC.
What is the InChIKey of (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is DWFYJKDFICGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClO3S/c1-3-19-12-7-9(10(16)8-13(12)20-4-2)14(18)15-11(17)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3.
What are the key properties of (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 391.71 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80644142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).