3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol

C17H20O3 — CID 116693402

IUPAC3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
SMILESCOCc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-19-13-14-6-5-9-16(12-14)20-11-10-17(18)15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyRPTHKRHEERBGNT-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.34
Rot. Bonds7

About 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol

3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol (PubChem CID 116693402) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
PubChem CID116693402
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
SMILESCOCc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-19-13-14-6-5-9-16(12-14)20-11-10-17(18)15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyRPTHKRHEERBGNT-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-[3-(3-hydroxy-3-phenylpropyl)phenoxy]ethylazanium
CID 149351429
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol (CID 116693402) is 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol is COCc1cccc(OCCC(O)c2ccccc2)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol?
The InChIKey is RPTHKRHEERBGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-13-14-6-5-9-16(12-14)20-11-10-17(18)15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol?
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol is sourced from PubChem (CID 116693402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).