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

C14H22O3 — CID 116710813

IUPAC2-methoxy-1-(2-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccccc1C(O)C(CC)OC
InChIInChI=1S/C14H22O3/c1-4-10-17-13-9-7-6-8-11(13)14(15)12(5-2)16-3/h6-9,12,14-15H,4-5,10H2,1-3H3
InChIKeyVZVWTWDOHLHQAD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.93
Rot. Bonds7

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

2-methoxy-1-(2-propoxyphenyl)butan-1-ol (PubChem CID 116710813) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-1-(2-propoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(2-propoxyphenyl)butan-1-ol
PubChem CID116710813
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-methoxy-1-(2-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccccc1C(O)C(CC)OC
InChIInChI=1S/C14H22O3/c1-4-10-17-13-9-7-6-8-11(13)14(15)12(5-2)16-3/h6-9,12,14-15H,4-5,10H2,1-3H3
InChIKeyVZVWTWDOHLHQAD-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
1-(2-propoxyphenyl)ethanol
CID 43503976
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
CID 107443118
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-propoxyphenyl)butan-1-ol?
The IUPAC name of 2-methoxy-1-(2-propoxyphenyl)butan-1-ol (CID 116710813) is 2-methoxy-1-(2-propoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-1-(2-propoxyphenyl)butan-1-ol?
The canonical SMILES for 2-methoxy-1-(2-propoxyphenyl)butan-1-ol is CCCOc1ccccc1C(O)C(CC)OC.
What is the InChIKey of 2-methoxy-1-(2-propoxyphenyl)butan-1-ol?
The InChIKey is VZVWTWDOHLHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-10-17-13-9-7-6-8-11(13)14(15)12(5-2)16-3/h6-9,12,14-15H,4-5,10H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-propoxyphenyl)butan-1-ol?
2-methoxy-1-(2-propoxyphenyl)butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.93, 7 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)butan-1-ol is sourced from PubChem (CID 116710813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).