(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol

C13H20O3 — CID 63364627

IUPAC(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
SMILESCCC(C)Oc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-5-9(2)16-12-7-6-11(10(3)14)8-13(12)15-4/h6-10,14H,5H2,1-4H3/t9?,10-/m0/s1
InChIKeyMZMFMPDSYNZLNA-AXDSSHIGSA-N
MW224.30 g/mol
LogP2.93
Rot. Bonds5

About (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol

(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol (PubChem CID 63364627) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
PubChem CID63364627
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
SMILESCCC(C)Oc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-5-9(2)16-12-7-6-11(10(3)14)8-13(12)15-4/h6-10,14H,5H2,1-4H3/t9?,10-/m0/s1
InChIKeyMZMFMPDSYNZLNA-AXDSSHIGSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55190404
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 64662178
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol (CID 63364627) is (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol is CCC(C)Oc1ccc([C@H](C)O)cc1OC.
What is the InChIKey of (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol?
The InChIKey is MZMFMPDSYNZLNA-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-9(2)16-12-7-6-11(10(3)14)8-13(12)15-4/h6-10,14H,5H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol?
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 63364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).