(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol

C15H24O3 — CID 82928017

IUPAC(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
SMILESCCC(CC)COc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C15H24O3/c1-5-12(6-2)10-18-14-8-7-13(11(3)16)9-15(14)17-4/h7-9,11-12,16H,5-6,10H2,1-4H3/t11-/m0/s1
InChIKeyIILXEXLHCKJOJM-NSHDSACASA-N
MW252.35 g/mol
LogP3.56
Rot. Bonds7

About (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol

(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol (PubChem CID 82928017) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
PubChem CID82928017
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
SMILESCCC(CC)COc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C15H24O3/c1-5-12(6-2)10-18-14-8-7-13(11(3)16)9-15(14)17-4/h7-9,11-12,16H,5-6,10H2,1-4H3/t11-/m0/s1
InChIKeyIILXEXLHCKJOJM-NSHDSACASA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol (CID 82928017) is (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol is CCC(CC)COc1ccc([C@H](C)O)cc1OC.
What is the InChIKey of (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol?
The InChIKey is IILXEXLHCKJOJM-NSHDSACASA-N. The full InChI is InChI=1S/C15H24O3/c1-5-12(6-2)10-18-14-8-7-13(11(3)16)9-15(14)17-4/h7-9,11-12,16H,5-6,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol?
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol has a molecular weight of 252.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 82928017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).