3-phenoxyhex-1-en-3-ol

C12H16O2 — CID 69380942

IUPAC3-phenoxyhex-1-en-3-ol
SMILESC=CC(O)(CCC)Oc1ccccc1
InChIInChI=1S/C12H16O2/c1-3-10-12(13,4-2)14-11-8-6-5-7-9-11/h4-9,13H,2-3,10H2,1H3
InChIKeyBNUJHNISYJDSIX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds5

About 3-phenoxyhex-1-en-3-ol

3-phenoxyhex-1-en-3-ol (PubChem CID 69380942) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-phenoxyhex-1-en-3-ol.

Molecular Properties

Compound Name3-phenoxyhex-1-en-3-ol
PubChem CID69380942
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-phenoxyhex-1-en-3-ol
SMILESC=CC(O)(CCC)Oc1ccccc1
InChIInChI=1S/C12H16O2/c1-3-10-12(13,4-2)14-11-8-6-5-7-9-11/h4-9,13H,2-3,10H2,1H3
InChIKeyBNUJHNISYJDSIX-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyhex-1-en-3-ol?
The IUPAC name of 3-phenoxyhex-1-en-3-ol (CID 69380942) is 3-phenoxyhex-1-en-3-ol.
What is the SMILES notation for 3-phenoxyhex-1-en-3-ol?
The canonical SMILES for 3-phenoxyhex-1-en-3-ol is C=CC(O)(CCC)Oc1ccccc1.
What is the InChIKey of 3-phenoxyhex-1-en-3-ol?
The InChIKey is BNUJHNISYJDSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-10-12(13,4-2)14-11-8-6-5-7-9-11/h4-9,13H,2-3,10H2,1H3.
What are the key properties of 3-phenoxyhex-1-en-3-ol?
3-phenoxyhex-1-en-3-ol has a molecular weight of 192.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyhex-1-en-3-ol is sourced from PubChem (CID 69380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).