(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one

C24H22O2 — CID 138377213

IUPAC(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one
SMILESO=C1/C(=C/C=C/c2ccccc2)CC(O)C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C24H22O2/c25-23-17-21(15-7-13-19-9-3-1-4-10-19)24(26)22(18-23)16-8-14-20-11-5-2-6-12-20/h1-16,23,25H,17-18H2/b13-7+,14-8+,21-15+,22-16+
InChIKeyUBNSTGKFHBNSFS-AWKIKHLOSA-N
MW342.44 g/mol
LogP4.99
Rot. Bonds4

About (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one

(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one (PubChem CID 138377213) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one
PubChem CID138377213
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one
SMILESO=C1/C(=C/C=C/c2ccccc2)CC(O)C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C24H22O2/c25-23-17-21(15-7-13-19-9-3-1-4-10-19)24(26)22(18-23)16-8-14-20-11-5-2-6-12-20/h1-16,23,25H,17-18H2/b13-7+,14-8+,21-15+,22-16+
InChIKeyUBNSTGKFHBNSFS-AWKIKHLOSA-N
XLogP4.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one (CID 138377213) is (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one is O=C1/C(=C/C=C/c2ccccc2)CC(O)C/C1=C\C=C\c1ccccc1.
What is the InChIKey of (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one?
The InChIKey is UBNSTGKFHBNSFS-AWKIKHLOSA-N. The full InChI is InChI=1S/C24H22O2/c25-23-17-21(15-7-13-19-9-3-1-4-10-19)24(26)22(18-23)16-8-14-20-11-5-2-6-12-20/h1-16,23,25H,17-18H2/b13-7+,14-8+,21-15+,22-16+.
What are the key properties of (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one?
(2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one has a molecular weight of 342.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4-hydroxy-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one is sourced from PubChem (CID 138377213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).