1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene

C26H38O2 — CID 171057442

IUPAC1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
SMILESCCCCCCCCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H38O2/c1-7-8-9-10-11-12-17-26(4,22-13-15-24(27-5)20(2)18-22)23-14-16-25(28-6)21(3)19-23/h13-16,18-19H,7-12,17H2,1-6H3
InChIKeyNTBNJFGLRDFLNI-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.38
Rot. Bonds11

About 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene

1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene (PubChem CID 171057442) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
PubChem CID171057442
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
SMILESCCCCCCCCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H38O2/c1-7-8-9-10-11-12-17-26(4,22-13-15-24(27-5)20(2)18-22)23-14-16-25(28-6)21(3)19-23/h13-16,18-19H,7-12,17H2,1-6H3
InChIKeyNTBNJFGLRDFLNI-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
dodecyl 4-methoxy-3-methylbenzoate
CID 54385488
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
2-methoxy-5-(2-methylheptan-2-yl)benzenesulfonyl chloride
CID 54418079

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene (CID 171057442) is 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene is CCCCCCCCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene?
The InChIKey is NTBNJFGLRDFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-7-8-9-10-11-12-17-26(4,22-13-15-24(27-5)20(2)18-22)23-14-16-25(28-6)21(3)19-23/h13-16,18-19H,7-12,17H2,1-6H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene?
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene has a molecular weight of 382.59 g/mol, XLogP of 7.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene is sourced from PubChem (CID 171057442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).