1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol

C14H15BrOS — CID 65149345

IUPAC1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrOS/c1-10(11-5-3-2-4-6-11)14(16)8-13-7-12(15)9-17-13/h2-7,9-10,14,16H,8H2,1H3
InChIKeyFAKARXKSIGARIR-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol

1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol (PubChem CID 65149345) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
PubChem CID65149345
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrOS/c1-10(11-5-3-2-4-6-11)14(16)8-13-7-12(15)9-17-13/h2-7,9-10,14,16H,8H2,1H3
InChIKeyFAKARXKSIGARIR-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
CID 64513517
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
(4-bromothiophen-2-yl)methyl-triphenylphosphanium
CID 87300474
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017742
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol (CID 65149345) is 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol?
The InChIKey is FAKARXKSIGARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-10(11-5-3-2-4-6-11)14(16)8-13-7-12(15)9-17-13/h2-7,9-10,14,16H,8H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol?
1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol has a molecular weight of 311.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol is sourced from PubChem (CID 65149345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).