1-[2-(2-phenoxyethoxy)phenyl]ethanol

C16H18O3 — CID 54794905

IUPAC1-[2-(2-phenoxyethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C16H18O3/c1-13(17)15-9-5-6-10-16(15)19-12-11-18-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyPKIVSPTVLIMUAD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds6

About 1-[2-(2-phenoxyethoxy)phenyl]ethanol

1-[2-(2-phenoxyethoxy)phenyl]ethanol (PubChem CID 54794905) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(2-phenoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-phenoxyethoxy)phenyl]ethanol
PubChem CID54794905
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-[2-(2-phenoxyethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C16H18O3/c1-13(17)15-9-5-6-10-16(15)19-12-11-18-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyPKIVSPTVLIMUAD-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

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-(2-propoxyphenyl)ethanol
CID 43503976
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenoxyethoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(2-phenoxyethoxy)phenyl]ethanol (CID 54794905) is 1-[2-(2-phenoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(2-phenoxyethoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(2-phenoxyethoxy)phenyl]ethanol is CC(O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of 1-[2-(2-phenoxyethoxy)phenyl]ethanol?
The InChIKey is PKIVSPTVLIMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-13(17)15-9-5-6-10-16(15)19-12-11-18-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 1-[2-(2-phenoxyethoxy)phenyl]ethanol?
1-[2-(2-phenoxyethoxy)phenyl]ethanol 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 1-[2-(2-phenoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 54794905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).