2-[2-[(E)-pent-3-enyl]phenyl]ethanol

C13H18O — CID 10888743

IUPAC2-[2-[(E)-pent-3-enyl]phenyl]ethanol
SMILESC/C=C/CCc1ccccc1CCO
InChIInChI=1S/C13H18O/c1-2-3-4-7-12-8-5-6-9-13(12)10-11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3/b3-2+
InChIKeyYLTAEYAVMODFHX-NSCUHMNNSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-[(E)-pent-3-enyl]phenyl]ethanol

2-[2-[(E)-pent-3-enyl]phenyl]ethanol (PubChem CID 10888743) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[2-[(E)-pent-3-enyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-pent-3-enyl]phenyl]ethanol
PubChem CID10888743
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-[2-[(E)-pent-3-enyl]phenyl]ethanol
SMILESC/C=C/CCc1ccccc1CCO
InChIInChI=1S/C13H18O/c1-2-3-4-7-12-8-5-6-9-13(12)10-11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3/b3-2+
InChIKeyYLTAEYAVMODFHX-NSCUHMNNSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-[(E)-pent-3-enyl]phenyl]ethanol?
The IUPAC name of 2-[2-[(E)-pent-3-enyl]phenyl]ethanol (CID 10888743) is 2-[2-[(E)-pent-3-enyl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(E)-pent-3-enyl]phenyl]ethanol?
The canonical SMILES for 2-[2-[(E)-pent-3-enyl]phenyl]ethanol is C/C=C/CCc1ccccc1CCO.
What is the InChIKey of 2-[2-[(E)-pent-3-enyl]phenyl]ethanol?
The InChIKey is YLTAEYAVMODFHX-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-7-12-8-5-6-9-13(12)10-11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3/b3-2+.
What are the key properties of 2-[2-[(E)-pent-3-enyl]phenyl]ethanol?
2-[2-[(E)-pent-3-enyl]phenyl]ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-pent-3-enyl]phenyl]ethanol is sourced from PubChem (CID 10888743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).