2-[2-(3-phenoxypropoxy)phenyl]ethanol

C17H20O3 — CID 107258184

IUPAC2-[2-(3-phenoxypropoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C17H20O3/c18-12-11-15-7-4-5-10-17(15)20-14-6-13-19-16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2
InChIKeyLLWXOVNRDIFYHU-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.07
Rot. Bonds8

About 2-[2-(3-phenoxypropoxy)phenyl]ethanol

2-[2-(3-phenoxypropoxy)phenyl]ethanol (PubChem CID 107258184) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[2-(3-phenoxypropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-phenoxypropoxy)phenyl]ethanol
PubChem CID107258184
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-[2-(3-phenoxypropoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C17H20O3/c18-12-11-15-7-4-5-10-17(15)20-14-6-13-19-16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2
InChIKeyLLWXOVNRDIFYHU-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.07
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

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CID 107712249
2-(2-pentoxyphenyl)ethanol
CID 91657515
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CID 107258154
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
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2-[2-[(4-octoxyphenyl)methoxy]phenyl]ethanol
CID 139712721
2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
7-phenoxyheptan-1-ol
CID 15856264
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenoxypropoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(3-phenoxypropoxy)phenyl]ethanol (CID 107258184) is 2-[2-(3-phenoxypropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(3-phenoxypropoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(3-phenoxypropoxy)phenyl]ethanol is OCCc1ccccc1OCCCOc1ccccc1.
What is the InChIKey of 2-[2-(3-phenoxypropoxy)phenyl]ethanol?
The InChIKey is LLWXOVNRDIFYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-12-11-15-7-4-5-10-17(15)20-14-6-13-19-16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2.
What are the key properties of 2-[2-(3-phenoxypropoxy)phenyl]ethanol?
2-[2-(3-phenoxypropoxy)phenyl]ethanol has a molecular weight of 272.34 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxypropoxy)phenyl]ethanol is sourced from PubChem (CID 107258184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).