2-methoxy-1-(2-propoxyphenyl)propan-1-ol

C13H20O3 — CID 104659647

IUPAC2-methoxy-1-(2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccccc1C(O)C(C)OC
InChIInChI=1S/C13H20O3/c1-4-9-16-12-8-6-5-7-11(12)13(14)10(2)15-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyGIAVLJBUVYQBNE-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.54
Rot. Bonds6

About 2-methoxy-1-(2-propoxyphenyl)propan-1-ol

2-methoxy-1-(2-propoxyphenyl)propan-1-ol (PubChem CID 104659647) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methoxy-1-(2-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(2-propoxyphenyl)propan-1-ol
PubChem CID104659647
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-methoxy-1-(2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccccc1C(O)C(C)OC
InChIInChI=1S/C13H20O3/c1-4-9-16-12-8-6-5-7-11(12)13(14)10(2)15-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyGIAVLJBUVYQBNE-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
2-methoxy-1-(2-propoxyphenyl)butan-1-ol
CID 116710813
1-(2-propoxyphenyl)ethanol
CID 43503976
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
CID 107443118
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-propoxyphenyl)propan-1-ol?
The IUPAC name of 2-methoxy-1-(2-propoxyphenyl)propan-1-ol (CID 104659647) is 2-methoxy-1-(2-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-methoxy-1-(2-propoxyphenyl)propan-1-ol?
The canonical SMILES for 2-methoxy-1-(2-propoxyphenyl)propan-1-ol is CCCOc1ccccc1C(O)C(C)OC.
What is the InChIKey of 2-methoxy-1-(2-propoxyphenyl)propan-1-ol?
The InChIKey is GIAVLJBUVYQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-9-16-12-8-6-5-7-11(12)13(14)10(2)15-3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-propoxyphenyl)propan-1-ol?
2-methoxy-1-(2-propoxyphenyl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 104659647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).