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

C14H15BrOS — CID 62606159

IUPAC1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C14H15BrOS/c15-13-8-9-17-14(13)10-12(16)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyPFYRSZHVQKHOOU-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.05
Rot. Bonds5

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

1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol (PubChem CID 62606159) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
PubChem CID62606159
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C14H15BrOS/c15-13-8-9-17-14(13)10-12(16)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyPFYRSZHVQKHOOU-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 55095376
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
2-(benzylsulfanylmethyl)-3-bromothiophene
CID 63458237

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol (CID 62606159) is 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol?
The InChIKey is PFYRSZHVQKHOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c15-13-8-9-17-14(13)10-12(16)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol?
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol has a molecular weight of 311.24 g/mol, XLogP of 4.05, 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-phenylbutan-2-ol is sourced from PubChem (CID 62606159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).