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

C19H24O2 — CID 24945236

IUPAC2-[2-(4-methylphenyl)-2-adamantyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H24O2/c1-12-2-4-15(5-3-12)19(11-18(20)21)16-7-13-6-14(9-16)10-17(19)8-13/h2-5,13-14,16-17H,6-11H2,1H3,(H,20,21)
InChIKeyJZFGILXNPQHSTO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.16
Rot. Bonds3

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

2-[2-(4-methylphenyl)-2-adamantyl]acetic acid (PubChem CID 24945236) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-2-adamantyl]acetic acid
PubChem CID24945236
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[2-(4-methylphenyl)-2-adamantyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H24O2/c1-12-2-4-15(5-3-12)19(11-18(20)21)16-7-13-6-14(9-16)10-17(19)8-13/h2-5,13-14,16-17H,6-11H2,1H3,(H,20,21)
InChIKeyJZFGILXNPQHSTO-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid (CID 24945236) is 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid is Cc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid?
The InChIKey is JZFGILXNPQHSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-12-2-4-15(5-3-12)19(11-18(20)21)16-7-13-6-14(9-16)10-17(19)8-13/h2-5,13-14,16-17H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid?
2-[2-(4-methylphenyl)-2-adamantyl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-2-adamantyl]acetic acid is sourced from PubChem (CID 24945236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).