3-(3-methoxyphenoxy)-1-phenylpropan-1-ol

C16H18O3 — CID 116693290

IUPAC3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
SMILESCOc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3
InChIKeyIEEQMWRHDMBZLK-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds6

About 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol

3-(3-methoxyphenoxy)-1-phenylpropan-1-ol (PubChem CID 116693290) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
PubChem CID116693290
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
SMILESCOc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3
InChIKeyIEEQMWRHDMBZLK-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
CID 70582417
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol (CID 116693290) is 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol is COc1cccc(OCCC(O)c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol?
The InChIKey is IEEQMWRHDMBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3.
What are the key properties of 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol?
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 116693290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).