3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol

C13H16O3 — CID 123795084

IUPAC3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
SMILESC=COCCOc1ccc(C=CCO)cc1
InChIInChI=1S/C13H16O3/c1-2-15-10-11-16-13-7-5-12(6-8-13)4-3-9-14/h2-8,14H,1,9-11H2
InChIKeyHQKUSOQBNZYANW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.23
Rot. Bonds7

About 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol

3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol (PubChem CID 123795084) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
PubChem CID123795084
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
SMILESC=COCCOc1ccc(C=CCO)cc1
InChIInChI=1S/C13H16O3/c1-2-15-10-11-16-13-7-5-12(6-8-13)4-3-9-14/h2-8,14H,1,9-11H2
InChIKeyHQKUSOQBNZYANW-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol (CID 123795084) is 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol is C=COCCOc1ccc(C=CCO)cc1.
What is the InChIKey of 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is HQKUSOQBNZYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-10-11-16-13-7-5-12(6-8-13)4-3-9-14/h2-8,14H,1,9-11H2.
What are the key properties of 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol?
3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 220.27 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 123795084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).