2-(3-phenyl-1-adamantyl)acetic acid

C18H22O2 — CID 2771107

IUPAC2-(3-phenyl-1-adamantyl)acetic acid
SMILESO=C(O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H22O2/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,19,20)
InChIKeyHUDYINFVSMWUNU-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-phenyl-1-adamantyl)acetic acid

2-(3-phenyl-1-adamantyl)acetic acid (PubChem CID 2771107) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(3-phenyl-1-adamantyl)acetic acid.

Molecular Properties

Compound Name2-(3-phenyl-1-adamantyl)acetic acid
PubChem CID2771107
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(3-phenyl-1-adamantyl)acetic acid
SMILESO=C(O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H22O2/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,19,20)
InChIKeyHUDYINFVSMWUNU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydroabietic Acid
CID 94391
Diphenylpropionic acid
CID 64798
3-(4-tert-Butylphenyl)-2-methylpropanoic acid
CID 106694
Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
5beta-Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-
CID 5316430
1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 15618
9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid
CID 31695
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
CID 24371
Triphenylacetic acid
CID 68992
2,2-Diphenylbutyric acid
CID 77902
3,3,3-Triphenylpropionic Acid
CID 136696
Benzeneacetic acid, alpha-phenyl-alpha-propyl-
CID 96732

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-adamantyl)acetic acid?
The IUPAC name of 2-(3-phenyl-1-adamantyl)acetic acid (CID 2771107) is 2-(3-phenyl-1-adamantyl)acetic acid.
What is the SMILES notation for 2-(3-phenyl-1-adamantyl)acetic acid?
The canonical SMILES for 2-(3-phenyl-1-adamantyl)acetic acid is O=C(O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-(3-phenyl-1-adamantyl)acetic acid?
The InChIKey is HUDYINFVSMWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,19,20).
What are the key properties of 2-(3-phenyl-1-adamantyl)acetic acid?
2-(3-phenyl-1-adamantyl)acetic acid has a molecular weight of 270.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-adamantyl)acetic acid is sourced from PubChem (CID 2771107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).