1-propan-2-yloxy-10H-anthracen-9-one

C17H16O2 — CID 22730975

IUPAC1-propan-2-yloxy-10H-anthracen-9-one
SMILESCC(C)Oc1cccc2c1C(=O)c1ccccc1C2
InChIInChI=1S/C17H16O2/c1-11(2)19-15-9-5-7-13-10-12-6-3-4-8-14(12)17(18)16(13)15/h3-9,11H,10H2,1-2H3
InChIKeyPGQULKSUTFNZFD-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.61
Rot. Bonds2

About 1-propan-2-yloxy-10H-anthracen-9-one

1-propan-2-yloxy-10H-anthracen-9-one (PubChem CID 22730975) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-propan-2-yloxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1-propan-2-yloxy-10H-anthracen-9-one
PubChem CID22730975
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-propan-2-yloxy-10H-anthracen-9-one
SMILESCC(C)Oc1cccc2c1C(=O)c1ccccc1C2
InChIInChI=1S/C17H16O2/c1-11(2)19-15-9-5-7-13-10-12-6-3-4-8-14(12)17(18)16(13)15/h3-9,11H,10H2,1-2H3
InChIKeyPGQULKSUTFNZFD-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propoxy-10H-anthracen-9-one
CID 70009381
10H-anthracen-9-one;fluoren-9-one
CID 67642372
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
1,2-diphenoxy-10H-anthracen-9-one
CID 23283730
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
10H-anthracen-9-one;ethane;methanol
CID 90976205
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
1-(2-chloroethylsulfanyl)-10H-anthracen-9-one
CID 150701680
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
CID 158681595
1-(1H-pyrazol-5-yl)-10H-anthracen-9-one
CID 101318503
5H-anthra[1,2-c]diazet-10-one
CID 175765488

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-10H-anthracen-9-one?
The IUPAC name of 1-propan-2-yloxy-10H-anthracen-9-one (CID 22730975) is 1-propan-2-yloxy-10H-anthracen-9-one.
What is the SMILES notation for 1-propan-2-yloxy-10H-anthracen-9-one?
The canonical SMILES for 1-propan-2-yloxy-10H-anthracen-9-one is CC(C)Oc1cccc2c1C(=O)c1ccccc1C2.
What is the InChIKey of 1-propan-2-yloxy-10H-anthracen-9-one?
The InChIKey is PGQULKSUTFNZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(2)19-15-9-5-7-13-10-12-6-3-4-8-14(12)17(18)16(13)15/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-10H-anthracen-9-one?
1-propan-2-yloxy-10H-anthracen-9-one has a molecular weight of 252.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-10H-anthracen-9-one is sourced from PubChem (CID 22730975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).