2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol

C24H27FO2 — CID 75038821

IUPAC2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C24H27FO2/c1-17(2)5-4-6-18(3)7-14-22-23(26)15-20(16-24(22)27)9-8-19-10-12-21(25)13-11-19/h5,7-13,15-16,26-27H,4,6,14H2,1-3H3
InChIKeyHNZQKUZQEQIPDM-UHFFFAOYSA-N
MW366.48 g/mol
LogP6.64
Rot. Bonds7

About 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol

2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 75038821) has the molecular formula C24H27FO2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID75038821
Molecular FormulaC24H27FO2
Molecular Weight366.48 g/mol
Exact Mass366.20
IUPAC Name2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C24H27FO2/c1-17(2)5-4-6-18(3)7-14-22-23(26)15-20(16-24(22)27)9-8-19-10-12-21(25)13-11-19/h5,7-13,15-16,26-27H,4,6,14H2,1-3H3
InChIKeyHNZQKUZQEQIPDM-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 14163455
4-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]benzonitrile
CID 10270710
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
CID 167459395
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
CID 59444407
5-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 11825998
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde
CID 5365915
1-[5-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 91431621
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 5281724
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993
2-(3,7-dimethylocta-2,6-dienyl)-1,3-bis(methoxymethoxy)-5-[2-(4-nitrophenyl)ethenyl]benzene
CID 68976094

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol (CID 75038821) is 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol is CC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccc(F)cc2)cc1O.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is HNZQKUZQEQIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FO2/c1-17(2)5-4-6-18(3)7-14-22-23(26)15-20(16-24(22)27)9-8-19-10-12-21(25)13-11-19/h5,7-13,15-16,26-27H,4,6,14H2,1-3H3.
What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol?
2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 366.48 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 75038821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).