4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol

C21H36O — CID 54143464

IUPAC4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol
SMILESCCCCCCCC(C)(O)C(CCC)c1cc(C)ccc1C
InChIInChI=1S/C21H36O/c1-6-8-9-10-11-15-21(5,22)20(12-7-2)19-16-17(3)13-14-18(19)4/h13-14,16,20,22H,6-12,15H2,1-5H3
InChIKeyGFAMQNLMYYEWHY-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.30
Rot. Bonds10

About 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol

4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol (PubChem CID 54143464) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol
PubChem CID54143464
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol
SMILESCCCCCCCC(C)(O)C(CCC)c1cc(C)ccc1C
InChIInChI=1S/C21H36O/c1-6-8-9-10-11-15-21(5,22)20(12-7-2)19-16-17(3)13-14-18(19)4/h13-14,16,20,22H,6-12,15H2,1-5H3
InChIKeyGFAMQNLMYYEWHY-UHFFFAOYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)dodecan-2-amine
CID 63411602
2-(4-methylphenyl)octan-2-ol
CID 65144778
2-(2,5-dimethylphenyl)hexan-3-ol
CID 83050609
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol?
The IUPAC name of 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol (CID 54143464) is 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol?
The canonical SMILES for 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol is CCCCCCCC(C)(O)C(CCC)c1cc(C)ccc1C.
What is the InChIKey of 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol?
The InChIKey is GFAMQNLMYYEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-6-8-9-10-11-15-21(5,22)20(12-7-2)19-16-17(3)13-14-18(19)4/h13-14,16,20,22H,6-12,15H2,1-5H3.
What are the key properties of 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol?
4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol has a molecular weight of 304.52 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol is sourced from PubChem (CID 54143464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).