(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol

C14H22O2 — CID 97048457

IUPAC(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H22O2/c1-5-9-14(4,15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3/t14-/m0/s1
InChIKeyOVZBOLPJYXLHFW-AWEZNQCLSA-N
MW222.33 g/mol
LogP3.48
Rot. Bonds5

About (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol

(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol (PubChem CID 97048457) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
PubChem CID97048457
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H22O2/c1-5-9-14(4,15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3/t14-/m0/s1
InChIKeyOVZBOLPJYXLHFW-AWEZNQCLSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
2-(3-butan-2-yloxyphenyl)-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162348296
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121
4-[1-hydroxy-1-(3-propan-2-yloxyphenyl)ethyl]benzonitrile
CID 115481663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol?
The IUPAC name of (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol (CID 97048457) is (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol.
What is the SMILES notation for (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol?
The canonical SMILES for (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol is CCC[C@](C)(O)c1cccc(OC(C)C)c1.
What is the InChIKey of (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol?
The InChIKey is OVZBOLPJYXLHFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-9-14(4,15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol?
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol is sourced from PubChem (CID 97048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).