1-[2-(2-ethenylphenyl)phenoxy]ethanol

C16H16O2 — CID 174830274

IUPAC1-[2-(2-ethenylphenyl)phenoxy]ethanol
SMILESC=Cc1ccccc1-c1ccccc1OC(C)O
InChIInChI=1S/C16H16O2/c1-3-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18-12(2)17/h3-12,17H,1H2,2H3
InChIKeyVBPZJECOGRQBEJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-(2-ethenylphenyl)phenoxy]ethanol

1-[2-(2-ethenylphenyl)phenoxy]ethanol (PubChem CID 174830274) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(2-ethenylphenyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethenylphenyl)phenoxy]ethanol
PubChem CID174830274
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[2-(2-ethenylphenyl)phenoxy]ethanol
SMILESC=Cc1ccccc1-c1ccccc1OC(C)O
InChIInChI=1S/C16H16O2/c1-3-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18-12(2)17/h3-12,17H,1H2,2H3
InChIKeyVBPZJECOGRQBEJ-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.71
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 1-[2-(2-ethenylphenyl)phenoxy]ethanol?
The IUPAC name of 1-[2-(2-ethenylphenyl)phenoxy]ethanol (CID 174830274) is 1-[2-(2-ethenylphenyl)phenoxy]ethanol.
What is the SMILES notation for 1-[2-(2-ethenylphenyl)phenoxy]ethanol?
The canonical SMILES for 1-[2-(2-ethenylphenyl)phenoxy]ethanol is C=Cc1ccccc1-c1ccccc1OC(C)O.
What is the InChIKey of 1-[2-(2-ethenylphenyl)phenoxy]ethanol?
The InChIKey is VBPZJECOGRQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18-12(2)17/h3-12,17H,1H2,2H3.
What are the key properties of 1-[2-(2-ethenylphenyl)phenoxy]ethanol?
1-[2-(2-ethenylphenyl)phenoxy]ethanol has a molecular weight of 240.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenylphenyl)phenoxy]ethanol is sourced from PubChem (CID 174830274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).