5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol

C22H32O2 — CID 173205709

IUPAC5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol
SMILESCC=C(CC)Oc1c(CC=C(C)C)c(C)cc(O)c1CC=C(C)C
InChIInChI=1S/C22H32O2/c1-8-18(9-2)24-22-19(12-10-15(3)4)17(7)14-21(23)20(22)13-11-16(5)6/h8,10-11,14,23H,9,12-13H2,1-7H3
InChIKeyOSEDMERWRQXSPO-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.41
Rot. Bonds7

About 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol

5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol (PubChem CID 173205709) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol.

Molecular Properties

Compound Name5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol
PubChem CID173205709
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol
SMILESCC=C(CC)Oc1c(CC=C(C)C)c(C)cc(O)c1CC=C(C)C
InChIInChI=1S/C22H32O2/c1-8-18(9-2)24-22-19(12-10-15(3)4)17(7)14-21(23)20(22)13-11-16(5)6/h8,10-11,14,23H,9,12-13H2,1-7H3
InChIKeyOSEDMERWRQXSPO-UHFFFAOYSA-N
XLogP6.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,7-bis[2-hydroxy-6-methyl-3,5-bis(3-methylbut-2-enyl)-4-pent-2-en-3-yloxyphenyl]-2,6-dimethylheptan-4-one
CID 57007561
5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 91064206
[3-acetyloxy-2,4-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methylphenyl] acetate
CID 134238195
3-methyl-5-pent-2-en-3-yloxyphenol
CID 173205887
methyl 3,5-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)benzoate
CID 89120818
4-[(1R)-1-ethoxyethyl]-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 162873136
2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
CID 91460835
6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
CID 11208660
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
(10R)-1,3,8,10-tetrahydroxy-6-methyl-2,4,5-tris(3-methylbut-2-enyl)-10H-anthracen-9-one
CID 162912636
3,6-dihydroxy-1,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
CID 86302532
[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
CID 102227582

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol?
The IUPAC name of 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol (CID 173205709) is 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol.
What is the SMILES notation for 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol?
The canonical SMILES for 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol is CC=C(CC)Oc1c(CC=C(C)C)c(C)cc(O)c1CC=C(C)C.
What is the InChIKey of 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol?
The InChIKey is OSEDMERWRQXSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-8-18(9-2)24-22-19(12-10-15(3)4)17(7)14-21(23)20(22)13-11-16(5)6/h8,10-11,14,23H,9,12-13H2,1-7H3.
What are the key properties of 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol?
5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol has a molecular weight of 328.50 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(3-methylbut-2-enyl)-3-pent-2-en-3-yloxyphenol is sourced from PubChem (CID 173205709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).