1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one

C19H20O2 — CID 114939092

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H20O2/c20-18(11-9-15-4-2-12-21-15)16-10-8-14-7-6-13-3-1-5-17(16)19(13)14/h1,3,5,8,10,15H,2,4,6-7,9,11-12H2
InChIKeyYDERNNZTKZNYKN-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.08
Rot. Bonds4

About 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one

1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 114939092) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID114939092
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H20O2/c20-18(11-9-15-4-2-12-21-15)16-10-8-14-7-6-13-3-1-5-17(16)19(13)14/h1,3,5,8,10,15H,2,4,6-7,9,11-12H2
InChIKeyYDERNNZTKZNYKN-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 116560398
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one (CID 114939092) is 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is YDERNNZTKZNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(11-9-15-4-2-12-21-15)16-10-8-14-7-6-13-3-1-5-17(16)19(13)14/h1,3,5,8,10,15H,2,4,6-7,9,11-12H2.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one?
1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 114939092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).