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

C14H15BrOS — CID 64513517

IUPAC4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
SMILESOC(CCCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C14H15BrOS/c15-12-9-13(17-10-12)7-4-8-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2
InChIKeyHUBVUVSXILFEDD-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.57
Rot. Bonds5

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

4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol (PubChem CID 64513517) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
PubChem CID64513517
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
SMILESOC(CCCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C14H15BrOS/c15-12-9-13(17-10-12)7-4-8-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2
InChIKeyHUBVUVSXILFEDD-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
CID 65149345
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
4-bromo-2-(4-thiophen-2-ylbutyl)thiophene
CID 58276498
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
5-bromo-1-phenylpentan-1-ol
CID 121216668
(4-bromothiophen-2-yl)methyl-triphenylphosphanium
CID 87300474
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
CID 94192857
4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
CID 64513522

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol (CID 64513517) is 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol is OC(CCCc1cc(Br)cs1)c1ccccc1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol?
The InChIKey is HUBVUVSXILFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c15-12-9-13(17-10-12)7-4-8-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol?
4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol has a molecular weight of 311.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol is sourced from PubChem (CID 64513517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).