1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol

C14H15BrO2S — CID 55095376

IUPAC1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2sccc2Br)cc1
InChIInChI=1S/C14H15BrO2S/c1-17-12-4-2-10(3-5-12)8-11(16)9-14-13(15)6-7-18-14/h2-7,11,16H,8-9H2,1H3
InChIKeyJHAHVXFWJBCDIH-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol

1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 55095376) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID55095376
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2sccc2Br)cc1
InChIInChI=1S/C14H15BrO2S/c1-17-12-4-2-10(3-5-12)8-11(16)9-14-13(15)6-7-18-14/h2-7,11,16H,8-9H2,1H3
InChIKeyJHAHVXFWJBCDIH-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-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

1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol (CID 55095376) is 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2sccc2Br)cc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is JHAHVXFWJBCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-17-12-4-2-10(3-5-12)8-11(16)9-14-13(15)6-7-18-14/h2-7,11,16H,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol?
1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 327.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 55095376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).