3-(3-ethylphenoxy)-1-phenylpropan-1-ol

C17H20O2 — CID 116693327

IUPAC3-(3-ethylphenoxy)-1-phenylpropan-1-ol
SMILESCCc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13,17-18H,2,11-12H2,1H3
InChIKeyHLUBFVGKAGUUHF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.75
Rot. Bonds6

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

3-(3-ethylphenoxy)-1-phenylpropan-1-ol (PubChem CID 116693327) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-1-phenylpropan-1-ol
PubChem CID116693327
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-(3-ethylphenoxy)-1-phenylpropan-1-ol
SMILESCCc1cccc(OCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13,17-18H,2,11-12H2,1H3
InChIKeyHLUBFVGKAGUUHF-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
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-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
2-[3-(3-hydroxy-3-phenylpropyl)phenoxy]ethylazanium
CID 149351429
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-ethylphenoxy)-1-phenylpropan-1-ol (CID 116693327) is 3-(3-ethylphenoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-ethylphenoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-ethylphenoxy)-1-phenylpropan-1-ol is CCc1cccc(OCCC(O)c2ccccc2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-1-phenylpropan-1-ol?
The InChIKey is HLUBFVGKAGUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13,17-18H,2,11-12H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)-1-phenylpropan-1-ol?
3-(3-ethylphenoxy)-1-phenylpropan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 116693327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).