2-(2-phenyl-2-adamantyl)acetic acid

C18H22O2 — CID 3604343

IUPAC2-(2-phenyl-2-adamantyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22O2/c19-17(20)11-18(14-4-2-1-3-5-14)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20)
InChIKeyUOHUGQYVSQANTJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.86
Rot. Bonds3

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

2-(2-phenyl-2-adamantyl)acetic acid (PubChem CID 3604343) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-phenyl-2-adamantyl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-2-adamantyl)acetic acid
PubChem CID3604343
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(2-phenyl-2-adamantyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22O2/c19-17(20)11-18(14-4-2-1-3-5-14)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20)
InChIKeyUOHUGQYVSQANTJ-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-2-adamantyl)acetic acid?
The IUPAC name of 2-(2-phenyl-2-adamantyl)acetic acid (CID 3604343) is 2-(2-phenyl-2-adamantyl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-2-adamantyl)acetic acid?
The canonical SMILES for 2-(2-phenyl-2-adamantyl)acetic acid is O=C(O)CC1(c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-phenyl-2-adamantyl)acetic acid?
The InChIKey is UOHUGQYVSQANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(20)11-18(14-4-2-1-3-5-14)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20).
What are the key properties of 2-(2-phenyl-2-adamantyl)acetic acid?
2-(2-phenyl-2-adamantyl)acetic acid has a molecular weight of 270.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-2-adamantyl)acetic acid is sourced from PubChem (CID 3604343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).