2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol

C22H30O3 — CID 166765433

IUPAC2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol
SMILESCCOCCCc1ccc(CC(C)OCC(O)c2ccccc2)cc1
InChIInChI=1S/C22H30O3/c1-3-24-15-7-8-19-11-13-20(14-12-19)16-18(2)25-17-22(23)21-9-5-4-6-10-21/h4-6,9-14,18,22-23H,3,7-8,15-17H2,1-2H3
InChIKeySAZMRBUNBSYNAL-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.34
Rot. Bonds11

About 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol

2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol (PubChem CID 166765433) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol
PubChem CID166765433
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol
SMILESCCOCCCc1ccc(CC(C)OCC(O)c2ccccc2)cc1
InChIInChI=1S/C22H30O3/c1-3-24-15-7-8-19-11-13-20(14-12-19)16-18(2)25-17-22(23)21-9-5-4-6-10-21/h4-6,9-14,18,22-23H,3,7-8,15-17H2,1-2H3
InChIKeySAZMRBUNBSYNAL-UHFFFAOYSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
CID 154661383
1-[2-[1-phenyl-2-(3-phenylpropoxy)ethoxy]ethoxy]propan-2-ol
CID 58479078
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
6-ethoxyhexylbenzene
CID 54300935
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
benzene;2-methoxy-1-phenylethanol
CID 174622919
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488443

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol?
The IUPAC name of 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol (CID 166765433) is 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol.
What is the SMILES notation for 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol?
The canonical SMILES for 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol is CCOCCCc1ccc(CC(C)OCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol?
The InChIKey is SAZMRBUNBSYNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-3-24-15-7-8-19-11-13-20(14-12-19)16-18(2)25-17-22(23)21-9-5-4-6-10-21/h4-6,9-14,18,22-23H,3,7-8,15-17H2,1-2H3.
What are the key properties of 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol?
2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol has a molecular weight of 342.48 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol is sourced from PubChem (CID 166765433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).