8-hydroxy-1-naphthalen-2-yloctan-1-one

C18H22O2 — CID 23072385

IUPAC8-hydroxy-1-naphthalen-2-yloctan-1-one
SMILESO=C(CCCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O2/c19-13-7-3-1-2-4-10-18(20)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2
InChIKeyWNHJDISTKQMTAU-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.36
Rot. Bonds8

About 8-hydroxy-1-naphthalen-2-yloctan-1-one

8-hydroxy-1-naphthalen-2-yloctan-1-one (PubChem CID 23072385) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 8-hydroxy-1-naphthalen-2-yloctan-1-one.

Molecular Properties

Compound Name8-hydroxy-1-naphthalen-2-yloctan-1-one
PubChem CID23072385
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name8-hydroxy-1-naphthalen-2-yloctan-1-one
SMILESO=C(CCCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O2/c19-13-7-3-1-2-4-10-18(20)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2
InChIKeyWNHJDISTKQMTAU-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
7-methyl-1-naphthalen-2-ylnonane-1,8-dione
CID 59908425
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448
8-[[(2E,4E)-4-aminohexa-2,4-dien-3-yl]amino]-1-naphthalen-2-yloctan-1-one;ethane
CID 142086759
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-naphthalen-2-yloctan-1-one?
The IUPAC name of 8-hydroxy-1-naphthalen-2-yloctan-1-one (CID 23072385) is 8-hydroxy-1-naphthalen-2-yloctan-1-one.
What is the SMILES notation for 8-hydroxy-1-naphthalen-2-yloctan-1-one?
The canonical SMILES for 8-hydroxy-1-naphthalen-2-yloctan-1-one is O=C(CCCCCCCO)c1ccc2ccccc2c1.
What is the InChIKey of 8-hydroxy-1-naphthalen-2-yloctan-1-one?
The InChIKey is WNHJDISTKQMTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-13-7-3-1-2-4-10-18(20)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2.
What are the key properties of 8-hydroxy-1-naphthalen-2-yloctan-1-one?
8-hydroxy-1-naphthalen-2-yloctan-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-naphthalen-2-yloctan-1-one is sourced from PubChem (CID 23072385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).