1-propoxy-10H-anthracen-9-one

C17H16O2 — CID 70009381

IUPAC1-propoxy-10H-anthracen-9-one
SMILESCCCOc1cccc2c1C(=O)c1ccccc1C2
InChIInChI=1S/C17H16O2/c1-2-10-19-15-9-5-7-13-11-12-6-3-4-8-14(12)17(18)16(13)15/h3-9H,2,10-11H2,1H3
InChIKeyMSQAPTNXXYZOLW-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.61
Rot. Bonds3

About 1-propoxy-10H-anthracen-9-one

1-propoxy-10H-anthracen-9-one (PubChem CID 70009381) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-propoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1-propoxy-10H-anthracen-9-one
PubChem CID70009381
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-propoxy-10H-anthracen-9-one
SMILESCCCOc1cccc2c1C(=O)c1ccccc1C2
InChIInChI=1S/C17H16O2/c1-2-10-19-15-9-5-7-13-11-12-6-3-4-8-14(12)17(18)16(13)15/h3-9H,2,10-11H2,1H3
InChIKeyMSQAPTNXXYZOLW-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

4-propoxy-10H-anthracen-9-one
CID 102119580
1-propan-2-yloxy-10H-anthracen-9-one
CID 22730975
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol
CID 172727480
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
2-hydroxy-4-propoxyindene-1,3-dione
CID 139638106
3-chloro-2-propoxy-9H-thioxanthene 10-oxide
CID 67095766
1-hydroxy-2-pentyl-10H-anthracen-9-one
CID 175148432
10H-anthracen-9-one;ethane;methanol
CID 90976205
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
CID 158681595

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-10H-anthracen-9-one?
The IUPAC name of 1-propoxy-10H-anthracen-9-one (CID 70009381) is 1-propoxy-10H-anthracen-9-one.
What is the SMILES notation for 1-propoxy-10H-anthracen-9-one?
The canonical SMILES for 1-propoxy-10H-anthracen-9-one is CCCOc1cccc2c1C(=O)c1ccccc1C2.
What is the InChIKey of 1-propoxy-10H-anthracen-9-one?
The InChIKey is MSQAPTNXXYZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-10-19-15-9-5-7-13-11-12-6-3-4-8-14(12)17(18)16(13)15/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-propoxy-10H-anthracen-9-one?
1-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 1-propoxy-10H-anthracen-9-one is sourced from PubChem (CID 70009381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).