(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol

C13H14BrNOS — CID 79595156

IUPAC(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cscc2Br)cc1
InChIInChI=1S/C13H14BrNOS/c1-15(2)10-5-3-9(4-6-10)13(16)11-7-17-8-12(11)14/h3-8,13,16H,1-2H3
InChIKeyFRIZGWDYGQSLBB-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.66
Rot. Bonds3

About (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol

(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol (PubChem CID 79595156) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
PubChem CID79595156
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cscc2Br)cc1
InChIInChI=1S/C13H14BrNOS/c1-15(2)10-5-3-9(4-6-10)13(16)11-7-17-8-12(11)14/h3-8,13,16H,1-2H3
InChIKeyFRIZGWDYGQSLBB-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
CID 118122372
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
1,3-benzodioxol-5-yl-(4-bromothiophen-3-yl)methanol
CID 79595048
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol (CID 79595156) is (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)c2cscc2Br)cc1.
What is the InChIKey of (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol?
The InChIKey is FRIZGWDYGQSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-15(2)10-5-3-9(4-6-10)13(16)11-7-17-8-12(11)14/h3-8,13,16H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol?
(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol has a molecular weight of 312.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 79595156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).