4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol

C21H24O2 — CID 70558351

IUPAC4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol
SMILESCc1cccc(C(C=CCO)C(O)C=CCc2ccccc2)c1
InChIInChI=1S/C21H24O2/c1-17-8-5-12-19(16-17)20(13-7-15-22)21(23)14-6-11-18-9-3-2-4-10-18/h2-10,12-14,16,20-23H,11,15H2,1H3
InChIKeyRWKOPXHNEPFHDU-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.79
Rot. Bonds7

About 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol

4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol (PubChem CID 70558351) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol.

Molecular Properties

Compound Name4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol
PubChem CID70558351
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol
SMILESCc1cccc(C(C=CCO)C(O)C=CCc2ccccc2)c1
InChIInChI=1S/C21H24O2/c1-17-8-5-12-19(16-17)20(13-7-15-22)21(23)14-6-11-18-9-3-2-4-10-18/h2-10,12-14,16,20-23H,11,15H2,1H3
InChIKeyRWKOPXHNEPFHDU-UHFFFAOYSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol?
The IUPAC name of 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol (CID 70558351) is 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol.
What is the SMILES notation for 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol?
The canonical SMILES for 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol is Cc1cccc(C(C=CCO)C(O)C=CCc2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol?
The InChIKey is RWKOPXHNEPFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-17-8-5-12-19(16-17)20(13-7-15-22)21(23)14-6-11-18-9-3-2-4-10-18/h2-10,12-14,16,20-23H,11,15H2,1H3.
What are the key properties of 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol?
4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol has a molecular weight of 308.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol is sourced from PubChem (CID 70558351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).