(2R)-1-(2-bromophenyl)pentan-2-ol

C11H15BrO — CID 93312348

IUPAC(2R)-1-(2-bromophenyl)pentan-2-ol
SMILESCCC[C@@H](O)Cc1ccccc1Br
InChIInChI=1S/C11H15BrO/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10,13H,2,5,8H2,1H3/t10-/m1/s1
InChIKeyLQBODDGSIRNLBZ-SNVBAGLBSA-N
MW243.14 g/mol
LogP3.15
Rot. Bonds4

About (2R)-1-(2-bromophenyl)pentan-2-ol

(2R)-1-(2-bromophenyl)pentan-2-ol (PubChem CID 93312348) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is (2R)-1-(2-bromophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromophenyl)pentan-2-ol
PubChem CID93312348
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name(2R)-1-(2-bromophenyl)pentan-2-ol
SMILESCCC[C@@H](O)Cc1ccccc1Br
InChIInChI=1S/C11H15BrO/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10,13H,2,5,8H2,1H3/t10-/m1/s1
InChIKeyLQBODDGSIRNLBZ-SNVBAGLBSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103089901
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CID 60798661
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
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CID 103459647
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-(2-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077158
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromophenyl)pentan-2-ol?
The IUPAC name of (2R)-1-(2-bromophenyl)pentan-2-ol (CID 93312348) is (2R)-1-(2-bromophenyl)pentan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromophenyl)pentan-2-ol?
The canonical SMILES for (2R)-1-(2-bromophenyl)pentan-2-ol is CCC[C@@H](O)Cc1ccccc1Br.
What is the InChIKey of (2R)-1-(2-bromophenyl)pentan-2-ol?
The InChIKey is LQBODDGSIRNLBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrO/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10,13H,2,5,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-bromophenyl)pentan-2-ol?
(2R)-1-(2-bromophenyl)pentan-2-ol has a molecular weight of 243.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromophenyl)pentan-2-ol is sourced from PubChem (CID 93312348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).