(2E)-4-phenylhexa-2,5-dien-1-ol

C12H14O — CID 15767643

IUPAC(2E)-4-phenylhexa-2,5-dien-1-ol
SMILESC=CC(/C=C/CO)c1ccccc1
InChIInChI=1S/C12H14O/c1-2-11(9-6-10-13)12-7-4-3-5-8-12/h2-9,11,13H,1,10H2/b9-6+
InChIKeyAFXATSGOIAVPTH-RMKNXTFCSA-N
MW174.24 g/mol
LogP2.50
Rot. Bonds4

About (2E)-4-phenylhexa-2,5-dien-1-ol

(2E)-4-phenylhexa-2,5-dien-1-ol (PubChem CID 15767643) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2E)-4-phenylhexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E)-4-phenylhexa-2,5-dien-1-ol
PubChem CID15767643
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2E)-4-phenylhexa-2,5-dien-1-ol
SMILESC=CC(/C=C/CO)c1ccccc1
InChIInChI=1S/C12H14O/c1-2-11(9-6-10-13)12-7-4-3-5-8-12/h2-9,11,13H,1,10H2/b9-6+
InChIKeyAFXATSGOIAVPTH-RMKNXTFCSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of (2E)-4-phenylhexa-2,5-dien-1-ol?
The IUPAC name of (2E)-4-phenylhexa-2,5-dien-1-ol (CID 15767643) is (2E)-4-phenylhexa-2,5-dien-1-ol.
What is the SMILES notation for (2E)-4-phenylhexa-2,5-dien-1-ol?
The canonical SMILES for (2E)-4-phenylhexa-2,5-dien-1-ol is C=CC(/C=C/CO)c1ccccc1.
What is the InChIKey of (2E)-4-phenylhexa-2,5-dien-1-ol?
The InChIKey is AFXATSGOIAVPTH-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14O/c1-2-11(9-6-10-13)12-7-4-3-5-8-12/h2-9,11,13H,1,10H2/b9-6+.
What are the key properties of (2E)-4-phenylhexa-2,5-dien-1-ol?
(2E)-4-phenylhexa-2,5-dien-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-phenylhexa-2,5-dien-1-ol is sourced from PubChem (CID 15767643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).