2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol

C26H36O2 — CID 58803773

IUPAC2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol
SMILESC=C(C)CCCC(C)CC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C26H36O2/c1-16(2)9-8-10-17(3)13-22(23-14-18(4)11-20(6)25(23)27)24-15-19(5)12-21(7)26(24)28/h11-12,14-15,17,22,27-28H,1,8-10,13H2,2-7H3
InChIKeyFTNFGZWVTVPZSF-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.24
Rot. Bonds8

About 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol

2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol (PubChem CID 58803773) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol
PubChem CID58803773
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol
SMILESC=C(C)CCCC(C)CC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C26H36O2/c1-16(2)9-8-10-17(3)13-22(23-14-18(4)11-20(6)25(23)27)24-15-19(5)12-21(7)26(24)28/h11-12,14-15,17,22,27-28H,1,8-10,13H2,2-7H3
InChIKeyFTNFGZWVTVPZSF-UHFFFAOYSA-N
XLogP7.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.24
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 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol (CID 58803773) is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol is C=C(C)CCCC(C)CC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol?
The InChIKey is FTNFGZWVTVPZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-16(2)9-8-10-17(3)13-22(23-14-18(4)11-20(6)25(23)27)24-15-19(5)12-21(7)26(24)28/h11-12,14-15,17,22,27-28H,1,8-10,13H2,2-7H3.
What are the key properties of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol?
2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol has a molecular weight of 380.57 g/mol, XLogP of 7.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,7-dimethyloct-7-enyl]-4,6-dimethylphenol is sourced from PubChem (CID 58803773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).