1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol

C14H22O3 — CID 83952575

IUPAC1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C14H22O3/c1-5-12(15)11-6-7-13(14(8-11)16-4)17-9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyQLMIXYBOOPEQOS-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

About 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol

1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol (PubChem CID 83952575) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
PubChem CID83952575
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C14H22O3/c1-5-12(15)11-6-7-13(14(8-11)16-4)17-9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyQLMIXYBOOPEQOS-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide
CID 3283507
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol (CID 83952575) is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol is CCC(O)c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol?
The InChIKey is QLMIXYBOOPEQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-12(15)11-6-7-13(14(8-11)16-4)17-9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol?
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 83952575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).