3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol

C17H20O4 — CID 117244947

IUPAC3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CO)COc2cccc(OC)c2)cc1
InChIInChI=1S/C17H20O4/c1-19-15-8-6-13(7-9-15)14(11-18)12-21-17-5-3-4-16(10-17)20-2/h3-10,14,18H,11-12H2,1-2H3
InChIKeyTVGDRCFLWPRQRN-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.86
Rot. Bonds7

About 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol

3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 117244947) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID117244947
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CO)COc2cccc(OC)c2)cc1
InChIInChI=1S/C17H20O4/c1-19-15-8-6-13(7-9-15)14(11-18)12-21-17-5-3-4-16(10-17)20-2/h3-10,14,18H,11-12H2,1-2H3
InChIKeyTVGDRCFLWPRQRN-UHFFFAOYSA-N
XLogP2.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933
(3-methoxyphenoxy)methanol
CID 10442564
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol (CID 117244947) is 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CO)COc2cccc(OC)c2)cc1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is TVGDRCFLWPRQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-15-8-6-13(7-9-15)14(11-18)12-21-17-5-3-4-16(10-17)20-2/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol?
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 288.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117244947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).