(E)-1-phenylhex-4-en-3-ol

C12H16O — CID 5366267

IUPAC(E)-1-phenylhex-4-en-3-ol
SMILESC/C=C/C(O)CCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+
InChIKeyLPEOSCXPDHOVJA-QHHAFSJGSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds4

About (E)-1-phenylhex-4-en-3-ol

(E)-1-phenylhex-4-en-3-ol (PubChem CID 5366267) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E)-1-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-1-phenylhex-4-en-3-ol
PubChem CID5366267
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E)-1-phenylhex-4-en-3-ol
SMILESC/C=C/C(O)CCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+
InChIKeyLPEOSCXPDHOVJA-QHHAFSJGSA-N
XLogP2.56
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 ≤ 52.56
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 (E)-1-phenylhex-4-en-3-ol?
The IUPAC name of (E)-1-phenylhex-4-en-3-ol (CID 5366267) is (E)-1-phenylhex-4-en-3-ol.
What is the SMILES notation for (E)-1-phenylhex-4-en-3-ol?
The canonical SMILES for (E)-1-phenylhex-4-en-3-ol is C/C=C/C(O)CCc1ccccc1.
What is the InChIKey of (E)-1-phenylhex-4-en-3-ol?
The InChIKey is LPEOSCXPDHOVJA-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+.
What are the key properties of (E)-1-phenylhex-4-en-3-ol?
(E)-1-phenylhex-4-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenylhex-4-en-3-ol is sourced from PubChem (CID 5366267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).