5-(2,3-dimethylpentan-3-yl)-2-methylphenol

C14H22O — CID 175623651

IUPAC5-(2,3-dimethylpentan-3-yl)-2-methylphenol
SMILESCCC(C)(c1ccc(C)c(O)c1)C(C)C
InChIInChI=1S/C14H22O/c1-6-14(5,10(2)3)12-8-7-11(4)13(15)9-12/h7-10,15H,6H2,1-5H3
InChIKeyKFGNRHVBAVAQPF-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.02
Rot. Bonds3

About 5-(2,3-dimethylpentan-3-yl)-2-methylphenol

5-(2,3-dimethylpentan-3-yl)-2-methylphenol (PubChem CID 175623651) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-(2,3-dimethylpentan-3-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(2,3-dimethylpentan-3-yl)-2-methylphenol
PubChem CID175623651
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5-(2,3-dimethylpentan-3-yl)-2-methylphenol
SMILESCCC(C)(c1ccc(C)c(O)c1)C(C)C
InChIInChI=1S/C14H22O/c1-6-14(5,10(2)3)12-8-7-11(4)13(15)9-12/h7-10,15H,6H2,1-5H3
InChIKeyKFGNRHVBAVAQPF-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2,3-dimethylpentan-3-yl)-2-methylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpentan-3-yl)-2-methylphenol?
The IUPAC name of 5-(2,3-dimethylpentan-3-yl)-2-methylphenol (CID 175623651) is 5-(2,3-dimethylpentan-3-yl)-2-methylphenol.
What is the SMILES notation for 5-(2,3-dimethylpentan-3-yl)-2-methylphenol?
The canonical SMILES for 5-(2,3-dimethylpentan-3-yl)-2-methylphenol is CCC(C)(c1ccc(C)c(O)c1)C(C)C.
What is the InChIKey of 5-(2,3-dimethylpentan-3-yl)-2-methylphenol?
The InChIKey is KFGNRHVBAVAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-14(5,10(2)3)12-8-7-11(4)13(15)9-12/h7-10,15H,6H2,1-5H3.
What are the key properties of 5-(2,3-dimethylpentan-3-yl)-2-methylphenol?
5-(2,3-dimethylpentan-3-yl)-2-methylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpentan-3-yl)-2-methylphenol is sourced from PubChem (CID 175623651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).