1-(9H-xanthen-9-yl)pentan-1-one

C18H18O2 — CID 141493444

IUPAC1-(9H-xanthen-9-yl)pentan-1-one
SMILESCCCCC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H18O2/c1-2-3-10-15(19)18-13-8-4-6-11-16(13)20-17-12-7-5-9-14(17)18/h4-9,11-12,18H,2-3,10H2,1H3
InChIKeyFQNZUOHXHHMUHG-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.68
Rot. Bonds4

About 1-(9H-xanthen-9-yl)pentan-1-one

1-(9H-xanthen-9-yl)pentan-1-one (PubChem CID 141493444) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(9H-xanthen-9-yl)pentan-1-one.

Molecular Properties

Compound Name1-(9H-xanthen-9-yl)pentan-1-one
PubChem CID141493444
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(9H-xanthen-9-yl)pentan-1-one
SMILESCCCCC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H18O2/c1-2-3-10-15(19)18-13-8-4-6-11-16(13)20-17-12-7-5-9-14(17)18/h4-9,11-12,18H,2-3,10H2,1H3
InChIKeyFQNZUOHXHHMUHG-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-9H-xanthene-9-carboxamide
CID 134005625
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 4783340
sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
N-[1-(3-oxoundecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 57244164
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903
sodium 1-propyl-9H-xanthene-9-carboxylate
CID 23699687
7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl octadecanoate
CID 69052071
3-(dimethylamino)propyl 9H-xanthene-9-carboxylate
CID 661681
1-(3,4-dihydro-1H-isochromen-1-yl)pentan-1-one
CID 105086674

Frequently Asked Questions

What is the IUPAC name of 1-(9H-xanthen-9-yl)pentan-1-one?
The IUPAC name of 1-(9H-xanthen-9-yl)pentan-1-one (CID 141493444) is 1-(9H-xanthen-9-yl)pentan-1-one.
What is the SMILES notation for 1-(9H-xanthen-9-yl)pentan-1-one?
The canonical SMILES for 1-(9H-xanthen-9-yl)pentan-1-one is CCCCC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 1-(9H-xanthen-9-yl)pentan-1-one?
The InChIKey is FQNZUOHXHHMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-3-10-15(19)18-13-8-4-6-11-16(13)20-17-12-7-5-9-14(17)18/h4-9,11-12,18H,2-3,10H2,1H3.
What are the key properties of 1-(9H-xanthen-9-yl)pentan-1-one?
1-(9H-xanthen-9-yl)pentan-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-xanthen-9-yl)pentan-1-one is sourced from PubChem (CID 141493444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).