2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol

C17H28O2 — CID 10999932

IUPAC2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
SMILESCC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3
InChIKeyRIWUMXQIWAUDCV-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.36
Rot. Bonds4

About 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol

2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol (PubChem CID 10999932) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
PubChem CID10999932
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
SMILESCC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3
InChIKeyRIWUMXQIWAUDCV-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-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-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol (CID 10999932) is 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol is CC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The InChIKey is RIWUMXQIWAUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3.
What are the key properties of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol is sourced from PubChem (CID 10999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).