(1S)-1-(3-pentan-2-yloxyphenyl)ethanol

C13H20O2 — CID 107892276

IUPAC(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
SMILESCCCC(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C13H20O2/c1-4-6-10(2)15-13-8-5-7-12(9-13)11(3)14/h5,7-11,14H,4,6H2,1-3H3/t10?,11-/m0/s1
InChIKeyGIZWGSLJYNLKSJ-DTIOYNMSSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds5

About (1S)-1-(3-pentan-2-yloxyphenyl)ethanol

(1S)-1-(3-pentan-2-yloxyphenyl)ethanol (PubChem CID 107892276) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S)-1-(3-pentan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
PubChem CID107892276
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
SMILESCCCC(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C13H20O2/c1-4-6-10(2)15-13-8-5-7-12(9-13)11(3)14/h5,7-11,14H,4,6H2,1-3H3/t10?,11-/m0/s1
InChIKeyGIZWGSLJYNLKSJ-DTIOYNMSSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190064
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-pentan-2-yloxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-pentan-2-yloxyphenyl)ethanol (CID 107892276) is (1S)-1-(3-pentan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-pentan-2-yloxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-pentan-2-yloxyphenyl)ethanol is CCCC(C)Oc1cccc([C@H](C)O)c1.
What is the InChIKey of (1S)-1-(3-pentan-2-yloxyphenyl)ethanol?
The InChIKey is GIZWGSLJYNLKSJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-6-10(2)15-13-8-5-7-12(9-13)11(3)14/h5,7-11,14H,4,6H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-(3-pentan-2-yloxyphenyl)ethanol?
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-pentan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 107892276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).