2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol

C15H17BrOS — CID 66060745

IUPAC2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrOS/c1-11-2-4-12(5-3-11)8-13(10-17)9-14-6-7-15(16)18-14/h2-7,13,17H,8-10H2,1H3
InChIKeyPGGNHRRFOFELAS-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.21
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol

2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol (PubChem CID 66060745) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
PubChem CID66060745
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrOS/c1-11-2-4-12(5-3-11)8-13(10-17)9-14-6-7-15(16)18-14/h2-7,13,17H,8-10H2,1H3
InChIKeyPGGNHRRFOFELAS-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol 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-[(5-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)propan-1-ol
CID 66059477
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66059875
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
2-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 103051196
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol (CID 66060745) is 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CC(CO)Cc2ccc(Br)s2)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol?
The InChIKey is PGGNHRRFOFELAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-11-2-4-12(5-3-11)8-13(10-17)9-14-6-7-15(16)18-14/h2-7,13,17H,8-10H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol?
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol has a molecular weight of 325.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 66060745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).