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

C15H17BrOS — CID 65150014

IUPAC1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H17BrOS/c1-11(12-5-3-2-4-6-12)9-13(17)10-15-14(16)7-8-18-15/h2-8,11,13,17H,9-10H2,1H3
InChIKeyWIRDCKXDPILUNN-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.61
Rot. Bonds5

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

1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol (PubChem CID 65150014) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
PubChem CID65150014
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H17BrOS/c1-11(12-5-3-2-4-6-12)9-13(17)10-15-14(16)7-8-18-15/h2-8,11,13,17H,9-10H2,1H3
InChIKeyWIRDCKXDPILUNN-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62606159
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1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
(4R)-2-methyl-6-phenylheptan-4-ol
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CID 65149568
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
3-phenylbutane-1,1-diol
CID 18417931
1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 55095376
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
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CID 63471406

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol (CID 65150014) is 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol is CC(CC(O)Cc1sccc1Br)c1ccccc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol?
The InChIKey is WIRDCKXDPILUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-11(12-5-3-2-4-6-12)9-13(17)10-15-14(16)7-8-18-15/h2-8,11,13,17H,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol?
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol has a molecular weight of 325.27 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol is sourced from PubChem (CID 65150014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).