2-phenyl-1-propoxyethanol

C11H16O2 — CID 3018206

IUPAC2-phenyl-1-propoxyethanol
SMILESCCCOC(O)Cc1ccccc1
InChIInChI=1S/C11H16O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyZIIZEEWHNOONMF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.97
Rot. Bonds5

About 2-phenyl-1-propoxyethanol

2-phenyl-1-propoxyethanol (PubChem CID 3018206) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-phenyl-1-propoxyethanol.

Molecular Properties

Compound Name2-phenyl-1-propoxyethanol
PubChem CID3018206
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-phenyl-1-propoxyethanol
SMILESCCCOC(O)Cc1ccccc1
InChIInChI=1S/C11H16O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyZIIZEEWHNOONMF-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propoxyethanol?
The IUPAC name of 2-phenyl-1-propoxyethanol (CID 3018206) is 2-phenyl-1-propoxyethanol.
What is the SMILES notation for 2-phenyl-1-propoxyethanol?
The canonical SMILES for 2-phenyl-1-propoxyethanol is CCCOC(O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-1-propoxyethanol?
The InChIKey is ZIIZEEWHNOONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 2-phenyl-1-propoxyethanol?
2-phenyl-1-propoxyethanol has a molecular weight of 180.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propoxyethanol is sourced from PubChem (CID 3018206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).