(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol

C15H24O — CID 97294137

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
SMILESCCC[C@](C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-10-15(4,16)14-8-6-13(7-9-14)11-12(2)3/h6-9,12,16H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKeyRSTFCNPHZFLVPE-HNNXBMFYSA-N
MW220.36 g/mol
LogP3.89
Rot. Bonds5

About (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol

(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol (PubChem CID 97294137) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
PubChem CID97294137
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
SMILESCCC[C@](C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-10-15(4,16)14-8-6-13(7-9-14)11-12(2)3/h6-9,12,16H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKeyRSTFCNPHZFLVPE-HNNXBMFYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol (CID 97294137) is (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol is CCC[C@](C)(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol?
The InChIKey is RSTFCNPHZFLVPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-10-15(4,16)14-8-6-13(7-9-14)11-12(2)3/h6-9,12,16H,5,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol?
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol is sourced from PubChem (CID 97294137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).