3-[(2-ethenylphenyl)methoxy]propan-1-ol

C12H16O2 — CID 22406179

IUPAC3-[(2-ethenylphenyl)methoxy]propan-1-ol
SMILESC=Cc1ccccc1COCCCO
InChIInChI=1S/C12H16O2/c1-2-11-6-3-4-7-12(11)10-14-9-5-8-13/h2-4,6-7,13H,1,5,8-10H2
InChIKeyYULOYZITVPULEY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds6

About 3-[(2-ethenylphenyl)methoxy]propan-1-ol

3-[(2-ethenylphenyl)methoxy]propan-1-ol (PubChem CID 22406179) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(2-ethenylphenyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-ethenylphenyl)methoxy]propan-1-ol
PubChem CID22406179
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-[(2-ethenylphenyl)methoxy]propan-1-ol
SMILESC=Cc1ccccc1COCCCO
InChIInChI=1S/C12H16O2/c1-2-11-6-3-4-7-12(11)10-14-9-5-8-13/h2-4,6-7,13H,1,5,8-10H2
InChIKeyYULOYZITVPULEY-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethenylphenyl)methoxy]propan-1-ol?
The IUPAC name of 3-[(2-ethenylphenyl)methoxy]propan-1-ol (CID 22406179) is 3-[(2-ethenylphenyl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(2-ethenylphenyl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(2-ethenylphenyl)methoxy]propan-1-ol is C=Cc1ccccc1COCCCO.
What is the InChIKey of 3-[(2-ethenylphenyl)methoxy]propan-1-ol?
The InChIKey is YULOYZITVPULEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-11-6-3-4-7-12(11)10-14-9-5-8-13/h2-4,6-7,13H,1,5,8-10H2.
What are the key properties of 3-[(2-ethenylphenyl)methoxy]propan-1-ol?
3-[(2-ethenylphenyl)methoxy]propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethenylphenyl)methoxy]propan-1-ol is sourced from PubChem (CID 22406179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).