(E,5S)-5-phenylhex-3-en-1-ol

C12H16O — CID 162402402

IUPAC(E,5S)-5-phenylhex-3-en-1-ol
SMILESC[C@@H](/C=C/CCO)c1ccccc1
InChIInChI=1S/C12H16O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,11,13H,6,10H2,1H3/b7-5+/t11-/m0/s1
InChIKeyPXMDPJYSFFSQPG-ZRQQLDRUSA-N
MW176.26 g/mol
LogP2.73
Rot. Bonds4

About (E,5S)-5-phenylhex-3-en-1-ol

(E,5S)-5-phenylhex-3-en-1-ol (PubChem CID 162402402) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E,5S)-5-phenylhex-3-en-1-ol.

Molecular Properties

Compound Name(E,5S)-5-phenylhex-3-en-1-ol
PubChem CID162402402
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E,5S)-5-phenylhex-3-en-1-ol
SMILESC[C@@H](/C=C/CCO)c1ccccc1
InChIInChI=1S/C12H16O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,11,13H,6,10H2,1H3/b7-5+/t11-/m0/s1
InChIKeyPXMDPJYSFFSQPG-ZRQQLDRUSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10725679
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CID 123551652
dodec-3-en-2-ylbenzene
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octadec-3-en-2-ylbenzene
CID 140717946
4-phenylpent-2-enylbenzene
CID 72731182
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
CID 158695222
(E)-3-phenylbut-1-en-1-amine
CID 22024726
ethyl 5-phenylhex-3-enoate
CID 71407022
dimethyl 2-[(E)-4-phenylpent-2-enyl]propanedioate
CID 122378801

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-phenylhex-3-en-1-ol?
The IUPAC name of (E,5S)-5-phenylhex-3-en-1-ol (CID 162402402) is (E,5S)-5-phenylhex-3-en-1-ol.
What is the SMILES notation for (E,5S)-5-phenylhex-3-en-1-ol?
The canonical SMILES for (E,5S)-5-phenylhex-3-en-1-ol is C[C@@H](/C=C/CCO)c1ccccc1.
What is the InChIKey of (E,5S)-5-phenylhex-3-en-1-ol?
The InChIKey is PXMDPJYSFFSQPG-ZRQQLDRUSA-N. The full InChI is InChI=1S/C12H16O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,11,13H,6,10H2,1H3/b7-5+/t11-/m0/s1.
What are the key properties of (E,5S)-5-phenylhex-3-en-1-ol?
(E,5S)-5-phenylhex-3-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-phenylhex-3-en-1-ol is sourced from PubChem (CID 162402402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).