4-propoxy-10H-anthracen-9-one

C17H16O2 — CID 102119580

IUPAC4-propoxy-10H-anthracen-9-one
SMILESCCCOc1cccc2c1Cc1ccccc1C2=O
InChIInChI=1S/C17H16O2/c1-2-10-19-16-9-5-8-14-15(16)11-12-6-3-4-7-13(12)17(14)18/h3-9H,2,10-11H2,1H3
InChIKeyNRKPIOBDJQIEOA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.61
Rot. Bonds3

About 4-propoxy-10H-anthracen-9-one

4-propoxy-10H-anthracen-9-one (PubChem CID 102119580) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-propoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name4-propoxy-10H-anthracen-9-one
PubChem CID102119580
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-propoxy-10H-anthracen-9-one
SMILESCCCOc1cccc2c1Cc1ccccc1C2=O
InChIInChI=1S/C17H16O2/c1-2-10-19-16-9-5-8-14-15(16)11-12-6-3-4-7-13(12)17(14)18/h3-9H,2,10-11H2,1H3
InChIKeyNRKPIOBDJQIEOA-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propoxy-10H-anthracen-9-one
CID 70009381
1-(2-phenylethoxy)-9H-fluorene
CID 151682362
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259
2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
CID 3375106
2-fluoro-5-methoxy-10H-anthracen-9-one
CID 171849218
10H-anthracen-9-one;ethane;methanol
CID 90976205
1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
10H-anthracen-9-one;fluoren-9-one
CID 67642372
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
1-(chloromethoxy)-2-propoxybenzene
CID 79530194

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-10H-anthracen-9-one?
The IUPAC name of 4-propoxy-10H-anthracen-9-one (CID 102119580) is 4-propoxy-10H-anthracen-9-one.
What is the SMILES notation for 4-propoxy-10H-anthracen-9-one?
The canonical SMILES for 4-propoxy-10H-anthracen-9-one is CCCOc1cccc2c1Cc1ccccc1C2=O.
What is the InChIKey of 4-propoxy-10H-anthracen-9-one?
The InChIKey is NRKPIOBDJQIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-10-19-16-9-5-8-14-15(16)11-12-6-3-4-7-13(12)17(14)18/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-propoxy-10H-anthracen-9-one?
4-propoxy-10H-anthracen-9-one has a molecular weight of 252.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-10H-anthracen-9-one is sourced from PubChem (CID 102119580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).