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

C14H15BrOS — CID 67958084

IUPAC4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol
SMILESOCCCC(c1ccccc1)c1sccc1Br
InChIInChI=1S/C14H15BrOS/c15-13-8-10-17-14(13)12(7-4-9-16)11-5-2-1-3-6-11/h1-3,5-6,8,10,12,16H,4,7,9H2
InChIKeyABQCBKCPKXRVKC-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.41
Rot. Bonds5

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

4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol (PubChem CID 67958084) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol
PubChem CID67958084
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol
SMILESOCCCC(c1ccccc1)c1sccc1Br
InChIInChI=1S/C14H15BrOS/c15-13-8-10-17-14(13)12(7-4-9-16)11-5-2-1-3-6-11/h1-3,5-6,8,10,12,16H,4,7,9H2
InChIKeyABQCBKCPKXRVKC-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67958093
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
4-fluoro-4-phenylbutan-1-ol
CID 57250871
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
3-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 115717854
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
CID 106695750
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol?
The IUPAC name of 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol (CID 67958084) is 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol is OCCCC(c1ccccc1)c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol?
The InChIKey is ABQCBKCPKXRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c15-13-8-10-17-14(13)12(7-4-9-16)11-5-2-1-3-6-11/h1-3,5-6,8,10,12,16H,4,7,9H2.
What are the key properties of 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol?
4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol has a molecular weight of 311.24 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 67958084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).