4-[9-(3,4-dimethoxyphenyl)nonyl]phenol

C23H32O3 — CID 10736998

IUPAC4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
SMILESCOc1ccc(CCCCCCCCCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C23H32O3/c1-25-22-17-14-20(18-23(22)26-2)11-9-7-5-3-4-6-8-10-19-12-15-21(24)16-13-19/h12-18,24H,3-11H2,1-2H3
InChIKeyABYLEKRTKQUYOT-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.93
Rot. Bonds12

About 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol

4-[9-(3,4-dimethoxyphenyl)nonyl]phenol (PubChem CID 10736998) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol.

Molecular Properties

Compound Name4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
PubChem CID10736998
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
SMILESCOc1ccc(CCCCCCCCCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C23H32O3/c1-25-22-17-14-20(18-23(22)26-2)11-9-7-5-3-4-6-8-10-19-12-15-21(24)16-13-19/h12-18,24H,3-11H2,1-2H3
InChIKeyABYLEKRTKQUYOT-UHFFFAOYSA-N
XLogP5.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
CID 11001393

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol?
The IUPAC name of 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol (CID 10736998) is 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol.
What is the SMILES notation for 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol?
The canonical SMILES for 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol is COc1ccc(CCCCCCCCCc2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol?
The InChIKey is ABYLEKRTKQUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-25-22-17-14-20(18-23(22)26-2)11-9-7-5-3-4-6-8-10-19-12-15-21(24)16-13-19/h12-18,24H,3-11H2,1-2H3.
What are the key properties of 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol?
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol has a molecular weight of 356.51 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3,4-dimethoxyphenyl)nonyl]phenol is sourced from PubChem (CID 10736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).