2-[(E)-hex-3-enyl]phenol

C12H16O — CID 21272840

IUPAC2-[(E)-hex-3-enyl]phenol
SMILESCC/C=C/CCc1ccccc1O
InChIInChI=1S/C12H16O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3/b4-3+
InChIKeyHYHPBMZRSKGNTO-ONEGZZNKSA-N
MW176.26 g/mol
LogP3.29
Rot. Bonds4

About 2-[(E)-hex-3-enyl]phenol

2-[(E)-hex-3-enyl]phenol (PubChem CID 21272840) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(E)-hex-3-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-hex-3-enyl]phenol
PubChem CID21272840
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[(E)-hex-3-enyl]phenol
SMILESCC/C=C/CCc1ccccc1O
InChIInChI=1S/C12H16O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3/b4-3+
InChIKeyHYHPBMZRSKGNTO-ONEGZZNKSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.29
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-[(E)-hex-3-enyl]phenol?
The IUPAC name of 2-[(E)-hex-3-enyl]phenol (CID 21272840) is 2-[(E)-hex-3-enyl]phenol.
What is the SMILES notation for 2-[(E)-hex-3-enyl]phenol?
The canonical SMILES for 2-[(E)-hex-3-enyl]phenol is CC/C=C/CCc1ccccc1O.
What is the InChIKey of 2-[(E)-hex-3-enyl]phenol?
The InChIKey is HYHPBMZRSKGNTO-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3/b4-3+.
What are the key properties of 2-[(E)-hex-3-enyl]phenol?
2-[(E)-hex-3-enyl]phenol has a molecular weight of 176.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-enyl]phenol is sourced from PubChem (CID 21272840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).