1-(9-deuterioxanthen-9-yl)propan-2-one

C16H14O2 — CID 101035388

IUPAC1-(9-deuterioxanthen-9-yl)propan-2-one
SMILES[2H]C1(CC(C)=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H14O2/c1-11(17)10-14-12-6-2-4-8-15(12)18-16-9-5-3-7-13(14)16/h2-9,14H,10H2,1H3/i14D
InChIKeyQJSRBYVNPXTTKR-FCFVPJCTSA-N
MW239.29 g/mol
LogP3.90
Rot. Bonds2

About 1-(9-deuterioxanthen-9-yl)propan-2-one

1-(9-deuterioxanthen-9-yl)propan-2-one (PubChem CID 101035388) has the molecular formula C16H14O2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(9-deuterioxanthen-9-yl)propan-2-one.

Molecular Properties

Compound Name1-(9-deuterioxanthen-9-yl)propan-2-one
PubChem CID101035388
Molecular FormulaC16H14O2
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name1-(9-deuterioxanthen-9-yl)propan-2-one
SMILES[2H]C1(CC(C)=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H14O2/c1-11(17)10-14-12-6-2-4-8-15(12)18-16-9-5-3-7-13(14)16/h2-9,14H,10H2,1H3/i14D
InChIKeyQJSRBYVNPXTTKR-FCFVPJCTSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9H-xanthen-9-yl)acetic acid
CID 834662
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-phenyl-2-(9H-xanthen-9-yl)ethanone
CID 12510354
N-ethyl-N-methyl-9H-xanthene-9-carboxamide
CID 134005625
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
1-(9H-xanthen-9-yl)pentan-1-one
CID 141493444
3-[methyl(9H-xanthen-9-yl)amino]propanoic acid
CID 65063528
9-methyl-9H-xanthene;propane
CID 143256907
sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
ethyl 3-oxo-2-(9H-xanthen-9-yl)butanoate
CID 12676138
(2S)-1-(4-fluorophenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione
CID 1167366
3-methyl-2-(9H-xanthen-9-yl)butanoic acid
CID 135032145

Frequently Asked Questions

What is the IUPAC name of 1-(9-deuterioxanthen-9-yl)propan-2-one?
The IUPAC name of 1-(9-deuterioxanthen-9-yl)propan-2-one (CID 101035388) is 1-(9-deuterioxanthen-9-yl)propan-2-one.
What is the SMILES notation for 1-(9-deuterioxanthen-9-yl)propan-2-one?
The canonical SMILES for 1-(9-deuterioxanthen-9-yl)propan-2-one is [2H]C1(CC(C)=O)c2ccccc2Oc2ccccc21.
What is the InChIKey of 1-(9-deuterioxanthen-9-yl)propan-2-one?
The InChIKey is QJSRBYVNPXTTKR-FCFVPJCTSA-N. The full InChI is InChI=1S/C16H14O2/c1-11(17)10-14-12-6-2-4-8-15(12)18-16-9-5-3-7-13(14)16/h2-9,14H,10H2,1H3/i14D.
What are the key properties of 1-(9-deuterioxanthen-9-yl)propan-2-one?
1-(9-deuterioxanthen-9-yl)propan-2-one has a molecular weight of 239.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-deuterioxanthen-9-yl)propan-2-one is sourced from PubChem (CID 101035388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).