2-(2-benzyl-2-adamantyl)acetic acid

C19H24O2 — CID 24945155

IUPAC2-(2-benzyl-2-adamantyl)acetic acid
SMILESO=C(O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24O2/c20-18(21)12-19(11-13-4-2-1-3-5-13)16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17H,6-12H2,(H,20,21)
InChIKeyACBLWEKLASKGDT-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-benzyl-2-adamantyl)acetic acid

2-(2-benzyl-2-adamantyl)acetic acid (PubChem CID 24945155) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-benzyl-2-adamantyl)acetic acid.

Molecular Properties

Compound Name2-(2-benzyl-2-adamantyl)acetic acid
PubChem CID24945155
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(2-benzyl-2-adamantyl)acetic acid
SMILESO=C(O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24O2/c20-18(21)12-19(11-13-4-2-1-3-5-13)16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17H,6-12H2,(H,20,21)
InChIKeyACBLWEKLASKGDT-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-2-adamantyl)acetic acid?
The IUPAC name of 2-(2-benzyl-2-adamantyl)acetic acid (CID 24945155) is 2-(2-benzyl-2-adamantyl)acetic acid.
What is the SMILES notation for 2-(2-benzyl-2-adamantyl)acetic acid?
The canonical SMILES for 2-(2-benzyl-2-adamantyl)acetic acid is O=C(O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-benzyl-2-adamantyl)acetic acid?
The InChIKey is ACBLWEKLASKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-18(21)12-19(11-13-4-2-1-3-5-13)16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17H,6-12H2,(H,20,21).
What are the key properties of 2-(2-benzyl-2-adamantyl)acetic acid?
2-(2-benzyl-2-adamantyl)acetic acid has a molecular weight of 284.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-2-adamantyl)acetic acid is sourced from PubChem (CID 24945155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).