2-[2-(2-phenylethyl)-2-adamantyl]acetic acid

C20H26O2 — CID 24944723

IUPAC2-[2-(2-phenylethyl)-2-adamantyl]acetic acid
SMILESO=C(O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22)
InChIKeyNGTJACVQOLODSA-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.54
Rot. Bonds5

About 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid

2-[2-(2-phenylethyl)-2-adamantyl]acetic acid (PubChem CID 24944723) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)-2-adamantyl]acetic acid
PubChem CID24944723
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-[2-(2-phenylethyl)-2-adamantyl]acetic acid
SMILESO=C(O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22)
InChIKeyNGTJACVQOLODSA-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid 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-(2-phenylethyl)-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid (CID 24944723) is 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid is O=C(O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid?
The InChIKey is NGTJACVQOLODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22).
What are the key properties of 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid?
2-[2-(2-phenylethyl)-2-adamantyl]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)-2-adamantyl]acetic acid is sourced from PubChem (CID 24944723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).