2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol

C26H38O4 — CID 167458062

IUPAC2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
SMILESCCCCCCCCCCCC(c1cccc(OC)c1O)c1cccc(OC)c1O
InChIInChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-15-20(21-16-13-18-23(29-2)25(21)27)22-17-14-19-24(30-3)26(22)28/h13-14,16-20,27-28H,4-12,15H2,1-3H3
InChIKeyZXCXSCUTYWDZKS-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.17
Rot. Bonds14

About 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol

2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol (PubChem CID 167458062) has the molecular formula C26H38O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
PubChem CID167458062
Molecular FormulaC26H38O4
Molecular Weight414.59 g/mol
Exact Mass414.28
IUPAC Name2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
SMILESCCCCCCCCCCCC(c1cccc(OC)c1O)c1cccc(OC)c1O
InChIInChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-15-20(21-16-13-18-23(29-2)25(21)27)22-17-14-19-24(30-3)26(22)28/h13-14,16-20,27-28H,4-12,15H2,1-3H3
InChIKeyZXCXSCUTYWDZKS-UHFFFAOYSA-N
XLogP7.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-heptadecyl-6-methoxyphenol
CID 10713705
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
CID 15123945
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol?
The IUPAC name of 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol (CID 167458062) is 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol is CCCCCCCCCCCC(c1cccc(OC)c1O)c1cccc(OC)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol?
The InChIKey is ZXCXSCUTYWDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-15-20(21-16-13-18-23(29-2)25(21)27)22-17-14-19-24(30-3)26(22)28/h13-14,16-20,27-28H,4-12,15H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol?
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol has a molecular weight of 414.59 g/mol, XLogP of 7.17, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol is sourced from PubChem (CID 167458062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).