(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol

C13H20O3 — CID 106453772

IUPAC(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
SMILESCCCOCCOc1cccc([C@@H](C)O)c1
InChIInChI=1S/C13H20O3/c1-3-7-15-8-9-16-13-6-4-5-12(10-13)11(2)14/h4-6,10-11,14H,3,7-9H2,1-2H3/t11-/m1/s1
InChIKeyVWWDYVQGUUEQJN-LLVKDONJSA-N
MW224.30 g/mol
LogP2.55
Rot. Bonds7

About (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol

(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol (PubChem CID 106453772) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
PubChem CID106453772
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
SMILESCCCOCCOc1cccc([C@@H](C)O)c1
InChIInChI=1S/C13H20O3/c1-3-7-15-8-9-16-13-6-4-5-12(10-13)11(2)14/h4-6,10-11,14H,3,7-9H2,1-2H3/t11-/m1/s1
InChIKeyVWWDYVQGUUEQJN-LLVKDONJSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.55
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

(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
CID 173046953
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol (CID 106453772) is (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol is CCCOCCOc1cccc([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol?
The InChIKey is VWWDYVQGUUEQJN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-7-15-8-9-16-13-6-4-5-12(10-13)11(2)14/h4-6,10-11,14H,3,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol?
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 106453772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).