3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one

C23H18O2 — CID 54562084

IUPAC3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
SMILESO=C(CC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H18O2/c24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22,24H,15H2
InChIKeyZRGUNOGJUWMAHI-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.30
Rot. Bonds4

About 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one

3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one (PubChem CID 54562084) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
PubChem CID54562084
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
SMILESO=C(CC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H18O2/c24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22,24H,15H2
InChIKeyZRGUNOGJUWMAHI-UHFFFAOYSA-N
XLogP5.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-naphthalen-1-ylpentan-1-one
CID 82920782
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
3-naphthalen-1-yl-3-oxopropanoate
CID 22261669
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one?
The IUPAC name of 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one (CID 54562084) is 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one?
The canonical SMILES for 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one is O=C(CC(O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one?
The InChIKey is ZRGUNOGJUWMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22,24H,15H2.
What are the key properties of 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one?
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one has a molecular weight of 326.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one is sourced from PubChem (CID 54562084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).