4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol

C25H34O3 — CID 10385257

IUPAC4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol
SMILESCOc1cc(CC/C=C(\C)CCCCc2cc(C)c(O)c(C)c2)cc(OC)c1
InChIInChI=1S/C25H34O3/c1-18(9-6-7-11-21-13-19(2)25(26)20(3)14-21)10-8-12-22-15-23(27-4)17-24(16-22)28-5/h10,13-17,26H,6-9,11-12H2,1-5H3/b18-10+
InChIKeyOZBNJKPRGZIEBU-VCHYOVAHSA-N
MW382.54 g/mol
LogP6.32
Rot. Bonds10

About 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol

4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol (PubChem CID 10385257) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol
PubChem CID10385257
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol
SMILESCOc1cc(CC/C=C(\C)CCCCc2cc(C)c(O)c(C)c2)cc(OC)c1
InChIInChI=1S/C25H34O3/c1-18(9-6-7-11-21-13-19(2)25(26)20(3)14-21)10-8-12-22-15-23(27-4)17-24(16-22)28-5/h10,13-17,26H,6-9,11-12H2,1-5H3/b18-10+
InChIKeyOZBNJKPRGZIEBU-VCHYOVAHSA-N
XLogP6.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-7-bromo-4-methylhept-3-enyl]-3,5-dimethoxybenzene
CID 10381768
[4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyl-1-methylsulfonyloxyoct-5-enyl]-2,6-dimethylphenyl] methanesulfonate
CID 10325367
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
2,6-dimethyl-4-pentylphenol
CID 22625507
5-(4-hydroxy-3,5-dimethylphenyl)pentanal
CID 10058811
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol (CID 10385257) is 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol is COc1cc(CC/C=C(\C)CCCCc2cc(C)c(O)c(C)c2)cc(OC)c1.
What is the InChIKey of 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol?
The InChIKey is OZBNJKPRGZIEBU-VCHYOVAHSA-N. The full InChI is InChI=1S/C25H34O3/c1-18(9-6-7-11-21-13-19(2)25(26)20(3)14-21)10-8-12-22-15-23(27-4)17-24(16-22)28-5/h10,13-17,26H,6-9,11-12H2,1-5H3/b18-10+.
What are the key properties of 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol?
4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol has a molecular weight of 382.54 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenol is sourced from PubChem (CID 10385257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).