1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol

C12H13BrO2S — CID 105090556

IUPAC1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
SMILESOC(CCc1ccco1)Cc1cc(Br)cs1
InChIInChI=1S/C12H13BrO2S/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h1-2,5-6,8,10,14H,3-4,7H2
InChIKeySIZDNQIFLAYNBQ-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol

1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol (PubChem CID 105090556) has the molecular formula C12H13BrO2S and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
PubChem CID105090556
Molecular FormulaC12H13BrO2S
Molecular Weight301.20 g/mol
Exact Mass299.98
IUPAC Name1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
SMILESOC(CCc1ccco1)Cc1cc(Br)cs1
InChIInChI=1S/C12H13BrO2S/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h1-2,5-6,8,10,14H,3-4,7H2
InChIKeySIZDNQIFLAYNBQ-UHFFFAOYSA-N
XLogP3.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-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-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
CID 105082155
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
1-(furan-2-yl)hept-6-yn-3-ol
CID 105098567
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
2-[4-(4-bromophenyl)-3-chlorobutyl]furan
CID 63519888
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
CID 65130914
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol (CID 105090556) is 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol is OC(CCc1ccco1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol?
The InChIKey is SIZDNQIFLAYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2S/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h1-2,5-6,8,10,14H,3-4,7H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol?
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol has a molecular weight of 301.20 g/mol, XLogP of 3.64, 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-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 105090556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).