(2R)-2-(4-bromophenyl)butan-2-ol

C10H13BrO — CID 15642444

IUPAC(2R)-2-(4-bromophenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3/t10-/m1/s1
InChIKeyNJHFESJPVIPUEY-SNVBAGLBSA-N
MW229.12 g/mol
LogP3.07
Rot. Bonds2

About (2R)-2-(4-bromophenyl)butan-2-ol

(2R)-2-(4-bromophenyl)butan-2-ol (PubChem CID 15642444) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)butan-2-ol
PubChem CID15642444
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(2R)-2-(4-bromophenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3/t10-/m1/s1
InChIKeyNJHFESJPVIPUEY-SNVBAGLBSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
4-bromo-2-[4-(4-bromophenoxy)phenyl]butan-2-ol
CID 21396474
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
CID 46217912
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-[4-(4-bromophenoxy)phenyl]-4-chlorobutan-2-ol
CID 21396616
[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
CID 7233361
2-(4-bromophenyl)-1-(methylamino)butan-2-ol
CID 62773006
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)butan-2-ol?
The IUPAC name of (2R)-2-(4-bromophenyl)butan-2-ol (CID 15642444) is (2R)-2-(4-bromophenyl)butan-2-ol.
What is the SMILES notation for (2R)-2-(4-bromophenyl)butan-2-ol?
The canonical SMILES for (2R)-2-(4-bromophenyl)butan-2-ol is CC[C@@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)butan-2-ol?
The InChIKey is NJHFESJPVIPUEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)butan-2-ol?
(2R)-2-(4-bromophenyl)butan-2-ol has a molecular weight of 229.12 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)butan-2-ol is sourced from PubChem (CID 15642444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).