1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol

C13H20O3 — CID 171606885

IUPAC1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1OCC(C)O
InChIInChI=1S/C13H20O3/c1-9(2)11-5-6-12(13(7-11)15-4)16-8-10(3)14/h5-7,9-10,14H,8H2,1-4H3
InChIKeyGYADWLQOQJJQGS-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol

1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 171606885) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID171606885
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1OCC(C)O
InChIInChI=1S/C13H20O3/c1-9(2)11-5-6-12(13(7-11)15-4)16-8-10(3)14/h5-7,9-10,14H,8H2,1-4H3
InChIKeyGYADWLQOQJJQGS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
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CID 82928017
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CID 83952575
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol (CID 171606885) is 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol is COc1cc(C(C)C)ccc1OCC(C)O.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is GYADWLQOQJJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)11-5-6-12(13(7-11)15-4)16-8-10(3)14/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol?
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 171606885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).