2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid

C19H24O3 — CID 24945158

IUPAC2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H24O3/c1-22-17-4-2-14(3-5-17)19(11-18(20)21)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,20,21)
InChIKeyQLUCKVGEYHYZQX-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid

2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid (PubChem CID 24945158) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid
PubChem CID24945158
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H24O3/c1-22-17-4-2-14(3-5-17)19(11-18(20)21)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,20,21)
InChIKeyQLUCKVGEYHYZQX-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid (CID 24945158) is 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid is COc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid?
The InChIKey is QLUCKVGEYHYZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-22-17-4-2-14(3-5-17)19(11-18(20)21)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid?
2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-adamantyl]acetic acid is sourced from PubChem (CID 24945158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).