(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol

C25H28O2 — CID 11325875

IUPAC(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol
SMILESOC/C(C=C1CCC(c2ccccc2)CC1)=C(/C=C/c1ccccc1)CO
InChIInChI=1S/C25H28O2/c26-18-24(16-11-20-7-3-1-4-8-20)25(19-27)17-21-12-14-23(15-13-21)22-9-5-2-6-10-22/h1-11,16-17,23,26-27H,12-15,18-19H2/b16-11+,21-17-,25-24-
InChIKeyJJTNNYZKGZVKNA-CXJPHSOUSA-N
MW360.50 g/mol
LogP5.27
Rot. Bonds6

About (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol

(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol (PubChem CID 11325875) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol
PubChem CID11325875
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol
SMILESOC/C(C=C1CCC(c2ccccc2)CC1)=C(/C=C/c1ccccc1)CO
InChIInChI=1S/C25H28O2/c26-18-24(16-11-20-7-3-1-4-8-20)25(19-27)17-21-12-14-23(15-13-21)22-9-5-2-6-10-22/h1-11,16-17,23,26-27H,12-15,18-19H2/b16-11+,21-17-,25-24-
InChIKeyJJTNNYZKGZVKNA-CXJPHSOUSA-N
XLogP5.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol?
The IUPAC name of (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol (CID 11325875) is (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol.
What is the SMILES notation for (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol?
The canonical SMILES for (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol is OC/C(C=C1CCC(c2ccccc2)CC1)=C(/C=C/c1ccccc1)CO.
What is the InChIKey of (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol?
The InChIKey is JJTNNYZKGZVKNA-CXJPHSOUSA-N. The full InChI is InChI=1S/C25H28O2/c26-18-24(16-11-20-7-3-1-4-8-20)25(19-27)17-21-12-14-23(15-13-21)22-9-5-2-6-10-22/h1-11,16-17,23,26-27H,12-15,18-19H2/b16-11+,21-17-,25-24-.
What are the key properties of (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol?
(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol has a molecular weight of 360.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol is sourced from PubChem (CID 11325875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).