(2-hydroxy-2-adamantyl)-phenylmethanone

C17H20O2 — CID 12812070

IUPAC(2-hydroxy-2-adamantyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20O2/c18-16(13-4-2-1-3-5-13)17(19)14-7-11-6-12(9-14)10-15(17)8-11/h1-5,11-12,14-15,19H,6-10H2
InChIKeyWMLLRCGXCKJTGM-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.06
Rot. Bonds2

About (2-hydroxy-2-adamantyl)-phenylmethanone

(2-hydroxy-2-adamantyl)-phenylmethanone (PubChem CID 12812070) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-hydroxy-2-adamantyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-2-adamantyl)-phenylmethanone
PubChem CID12812070
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2-hydroxy-2-adamantyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20O2/c18-16(13-4-2-1-3-5-13)17(19)14-7-11-6-12(9-14)10-15(17)8-11/h1-5,11-12,14-15,19H,6-10H2
InChIKeyWMLLRCGXCKJTGM-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-hydroxy-2-adamantyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hydroxycyclohexyl phenyl ketone
CID 70355
1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
CID 112291
Mls002639143
CID 231106
10-(1-hydroxy-2-oxo-2-phenylethyl)-10H-anthracen-9-one
CID 25233409
(1R,4S,7E,9S,10S,12R,16S)-7-benzylidene-16-hydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-en-6-one
CID 163186808
2-Hydroxy-2-methyl-1-tetralone
CID 14120939
(3-Hydroxy-5,7-dimethyl-1-adamantyl)-phenylmethanone
CID 4409735
2-Adamantyl(phenyl)methanone
CID 526923
4-Adamantylacetophenone
CID 10515134
2-Ethyl-2-hydroxy-3,4-dihydronaphthalen-1(2H)-one
CID 14142328
2-Hydroxycyclohexylphenylketone
CID 68419660
1-Benzoyl-2-debenzoyloxytaxol
CID 129721186

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-adamantyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-2-adamantyl)-phenylmethanone (CID 12812070) is (2-hydroxy-2-adamantyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-2-adamantyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-2-adamantyl)-phenylmethanone is O=C(c1ccccc1)C1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-hydroxy-2-adamantyl)-phenylmethanone?
The InChIKey is WMLLRCGXCKJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-16(13-4-2-1-3-5-13)17(19)14-7-11-6-12(9-14)10-15(17)8-11/h1-5,11-12,14-15,19H,6-10H2.
What are the key properties of (2-hydroxy-2-adamantyl)-phenylmethanone?
(2-hydroxy-2-adamantyl)-phenylmethanone has a molecular weight of 256.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-adamantyl)-phenylmethanone is sourced from PubChem (CID 12812070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).