2-[(E)-5-hydroxypent-3-enyl]phenol

C11H14O2 — CID 57337479

IUPAC2-[(E)-5-hydroxypent-3-enyl]phenol
SMILESOC/C=C/CCc1ccccc1O
InChIInChI=1S/C11H14O2/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h1,3-5,7-8,12-13H,2,6,9H2/b5-1+
InChIKeyDEXCXSNVXUWELF-ORCRQEGFSA-N
MW178.23 g/mol
LogP1.87
Rot. Bonds4

About 2-[(E)-5-hydroxypent-3-enyl]phenol

2-[(E)-5-hydroxypent-3-enyl]phenol (PubChem CID 57337479) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(E)-5-hydroxypent-3-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-5-hydroxypent-3-enyl]phenol
PubChem CID57337479
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(E)-5-hydroxypent-3-enyl]phenol
SMILESOC/C=C/CCc1ccccc1O
InChIInChI=1S/C11H14O2/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h1,3-5,7-8,12-13H,2,6,9H2/b5-1+
InChIKeyDEXCXSNVXUWELF-ORCRQEGFSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-hydroxypent-3-enyl]phenol?
The IUPAC name of 2-[(E)-5-hydroxypent-3-enyl]phenol (CID 57337479) is 2-[(E)-5-hydroxypent-3-enyl]phenol.
What is the SMILES notation for 2-[(E)-5-hydroxypent-3-enyl]phenol?
The canonical SMILES for 2-[(E)-5-hydroxypent-3-enyl]phenol is OC/C=C/CCc1ccccc1O.
What is the InChIKey of 2-[(E)-5-hydroxypent-3-enyl]phenol?
The InChIKey is DEXCXSNVXUWELF-ORCRQEGFSA-N. The full InChI is InChI=1S/C11H14O2/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h1,3-5,7-8,12-13H,2,6,9H2/b5-1+.
What are the key properties of 2-[(E)-5-hydroxypent-3-enyl]phenol?
2-[(E)-5-hydroxypent-3-enyl]phenol has a molecular weight of 178.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-hydroxypent-3-enyl]phenol is sourced from PubChem (CID 57337479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).