(E)-4-hydroxy-6-phenylhex-5-en-2-one

C12H14O2 — CID 10965306

IUPAC(E)-4-hydroxy-6-phenylhex-5-en-2-one
SMILESCC(=O)CC(O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,12,14H,9H2,1H3/b8-7+
InChIKeyUXFOPBHZBIELIF-BQYQJAHWSA-N
MW190.24 g/mol
LogP2.04
Rot. Bonds4

About (E)-4-hydroxy-6-phenylhex-5-en-2-one

(E)-4-hydroxy-6-phenylhex-5-en-2-one (PubChem CID 10965306) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-4-hydroxy-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-6-phenylhex-5-en-2-one
PubChem CID10965306
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-4-hydroxy-6-phenylhex-5-en-2-one
SMILESCC(=O)CC(O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,12,14H,9H2,1H3/b8-7+
InChIKeyUXFOPBHZBIELIF-BQYQJAHWSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-6-phenylhex-5-en-2-one?
The IUPAC name of (E)-4-hydroxy-6-phenylhex-5-en-2-one (CID 10965306) is (E)-4-hydroxy-6-phenylhex-5-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-6-phenylhex-5-en-2-one?
The canonical SMILES for (E)-4-hydroxy-6-phenylhex-5-en-2-one is CC(=O)CC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-hydroxy-6-phenylhex-5-en-2-one?
The InChIKey is UXFOPBHZBIELIF-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,12,14H,9H2,1H3/b8-7+.
What are the key properties of (E)-4-hydroxy-6-phenylhex-5-en-2-one?
(E)-4-hydroxy-6-phenylhex-5-en-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-6-phenylhex-5-en-2-one is sourced from PubChem (CID 10965306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).