2-methyl-1-(9H-xanthen-9-yl)propan-1-one

C17H16O2 — CID 79299133

IUPAC2-methyl-1-(9H-xanthen-9-yl)propan-1-one
SMILESCC(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H16O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3
InChIKeyYORAHITVFWGMDM-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.15
Rot. Bonds2

About 2-methyl-1-(9H-xanthen-9-yl)propan-1-one

2-methyl-1-(9H-xanthen-9-yl)propan-1-one (PubChem CID 79299133) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methyl-1-(9H-xanthen-9-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(9H-xanthen-9-yl)propan-1-one
PubChem CID79299133
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-methyl-1-(9H-xanthen-9-yl)propan-1-one
SMILESCC(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H16O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3
InChIKeyYORAHITVFWGMDM-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9H-xanthen-9-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(9H-xanthen-9-yl)propan-1-one (CID 79299133) is 2-methyl-1-(9H-xanthen-9-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(9H-xanthen-9-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(9H-xanthen-9-yl)propan-1-one is CC(C)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-methyl-1-(9H-xanthen-9-yl)propan-1-one?
The InChIKey is YORAHITVFWGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3.
What are the key properties of 2-methyl-1-(9H-xanthen-9-yl)propan-1-one?
2-methyl-1-(9H-xanthen-9-yl)propan-1-one has a molecular weight of 252.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9H-xanthen-9-yl)propan-1-one is sourced from PubChem (CID 79299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).