1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol

C10H15BrO2S — CID 65146600

IUPAC1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrO2S/c1-10(12,3-4-13-2)6-9-5-8(11)7-14-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyXPDZVAHVZNFPEN-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol

1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol (PubChem CID 65146600) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
PubChem CID65146600
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrO2S/c1-10(12,3-4-13-2)6-9-5-8(11)7-14-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyXPDZVAHVZNFPEN-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-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-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62725425
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146285
5-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]thiophene-3-carboxylic acid
CID 114164019
1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
CID 65153708
methyl 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620739
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607
2-[3-(4-bromothiophen-2-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119188912
4-(4-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 82489193

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol (CID 65146600) is 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is XPDZVAHVZNFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-10(12,3-4-13-2)6-9-5-8(11)7-14-9/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol?
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 279.20 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 65146600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).