2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol

C18H30O — CID 114865584

IUPAC2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
SMILESCc1cc(C)c(C(O)(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H30O/c1-12(2)10-18(19,11-13(3)4)17-9-15(6)14(5)8-16(17)7/h8-9,12-13,19H,10-11H2,1-7H3
InChIKeyACJSQABVKPZANP-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.89
Rot. Bonds5

About 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol

2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol (PubChem CID 114865584) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
PubChem CID114865584
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
SMILESCc1cc(C)c(C(O)(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H30O/c1-12(2)10-18(19,11-13(3)4)17-9-15(6)14(5)8-16(17)7/h8-9,12-13,19H,10-11H2,1-7H3
InChIKeyACJSQABVKPZANP-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
CID 64984867
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64990325
4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol
CID 114865344
3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64984866
4-(3-chloro-4-methylphenyl)-2,6-dimethylheptan-4-ol
CID 107559705
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 64985240
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 64985200
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
CID 114866082
2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol (CID 114865584) is 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol is Cc1cc(C)c(C(O)(CC(C)C)CC(C)C)cc1C.
What is the InChIKey of 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol?
The InChIKey is ACJSQABVKPZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-12(2)10-18(19,11-13(3)4)17-9-15(6)14(5)8-16(17)7/h8-9,12-13,19H,10-11H2,1-7H3.
What are the key properties of 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol?
2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol has a molecular weight of 262.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol is sourced from PubChem (CID 114865584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).