2-[(E)-3-phenylpent-1-enoxy]ethanol

C13H18O2 — CID 10774672

IUPAC2-[(E)-3-phenylpent-1-enoxy]ethanol
SMILESCCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-2-12(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-8,10,12,14H,2,9,11H2,1H3/b10-8+
InChIKeySRPWUZJHWQDDPJ-CSKARUKUSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds6

About 2-[(E)-3-phenylpent-1-enoxy]ethanol

2-[(E)-3-phenylpent-1-enoxy]ethanol (PubChem CID 10774672) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(E)-3-phenylpent-1-enoxy]ethanol.

Molecular Properties

Compound Name2-[(E)-3-phenylpent-1-enoxy]ethanol
PubChem CID10774672
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(E)-3-phenylpent-1-enoxy]ethanol
SMILESCCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-2-12(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-8,10,12,14H,2,9,11H2,1H3/b10-8+
InChIKeySRPWUZJHWQDDPJ-CSKARUKUSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(E)-3-phenylpent-1-enoxy]ethanol?
The IUPAC name of 2-[(E)-3-phenylpent-1-enoxy]ethanol (CID 10774672) is 2-[(E)-3-phenylpent-1-enoxy]ethanol.
What is the SMILES notation for 2-[(E)-3-phenylpent-1-enoxy]ethanol?
The canonical SMILES for 2-[(E)-3-phenylpent-1-enoxy]ethanol is CCC(/C=C/OCCO)c1ccccc1.
What is the InChIKey of 2-[(E)-3-phenylpent-1-enoxy]ethanol?
The InChIKey is SRPWUZJHWQDDPJ-CSKARUKUSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-12(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-8,10,12,14H,2,9,11H2,1H3/b10-8+.
What are the key properties of 2-[(E)-3-phenylpent-1-enoxy]ethanol?
2-[(E)-3-phenylpent-1-enoxy]ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylpent-1-enoxy]ethanol is sourced from PubChem (CID 10774672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).