2,2,4-trimethyl-1-phenylpentan-3-ol

C14H22O — CID 14512767

IUPAC2,2,4-trimethyl-1-phenylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-11(2)13(15)14(3,4)10-12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKeyLKGOYTNWKHESNU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.27
Rot. Bonds4

About 2,2,4-trimethyl-1-phenylpentan-3-ol

2,2,4-trimethyl-1-phenylpentan-3-ol (PubChem CID 14512767) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-phenylpentan-3-ol
PubChem CID14512767
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,2,4-trimethyl-1-phenylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-11(2)13(15)14(3,4)10-12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKeyLKGOYTNWKHESNU-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethyl-1-phenylpentan-3-ol 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 2,2,4-trimethyl-1-phenylpentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1-phenylpentan-3-ol (CID 14512767) is 2,2,4-trimethyl-1-phenylpentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-phenylpentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1-phenylpentan-3-ol is CC(C)C(O)C(C)(C)Cc1ccccc1.
What is the InChIKey of 2,2,4-trimethyl-1-phenylpentan-3-ol?
The InChIKey is LKGOYTNWKHESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)13(15)14(3,4)10-12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-phenylpentan-3-ol?
2,2,4-trimethyl-1-phenylpentan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-phenylpentan-3-ol is sourced from PubChem (CID 14512767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).