2-bromo-1-thiophen-2-ylpropan-1-ol

C7H9BrOS — CID 116863277

IUPAC2-bromo-1-thiophen-2-ylpropan-1-ol
SMILESCC(Br)C(O)c1cccs1
InChIInChI=1S/C7H9BrOS/c1-5(8)7(9)6-3-2-4-10-6/h2-5,7,9H,1H3
InChIKeyAMJOQPNBSGQISD-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.56
Rot. Bonds2

About 2-bromo-1-thiophen-2-ylpropan-1-ol

2-bromo-1-thiophen-2-ylpropan-1-ol (PubChem CID 116863277) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-bromo-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-bromo-1-thiophen-2-ylpropan-1-ol
PubChem CID116863277
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name2-bromo-1-thiophen-2-ylpropan-1-ol
SMILESCC(Br)C(O)c1cccs1
InChIInChI=1S/C7H9BrOS/c1-5(8)7(9)6-3-2-4-10-6/h2-5,7,9H,1H3
InChIKeyAMJOQPNBSGQISD-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
2-propan-2-ylthiophene
CID 178128598
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
CID 104521074
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-bromo-1-thiophen-2-ylpropan-1-ol (CID 116863277) is 2-bromo-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-bromo-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-bromo-1-thiophen-2-ylpropan-1-ol is CC(Br)C(O)c1cccs1.
What is the InChIKey of 2-bromo-1-thiophen-2-ylpropan-1-ol?
The InChIKey is AMJOQPNBSGQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-5(8)7(9)6-3-2-4-10-6/h2-5,7,9H,1H3.
What are the key properties of 2-bromo-1-thiophen-2-ylpropan-1-ol?
2-bromo-1-thiophen-2-ylpropan-1-ol has a molecular weight of 221.12 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 116863277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).