1-(6-hydroxynaphthalen-2-yl)dodecan-1-one

C22H30O2 — CID 68907241

IUPAC1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-22(24)20-13-12-19-17-21(23)15-14-18(19)16-20/h12-17,23H,2-11H2,1H3
InChIKeyGXXDVHFULUVAFA-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.65
Rot. Bonds11

About 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one

1-(6-hydroxynaphthalen-2-yl)dodecan-1-one (PubChem CID 68907241) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one.

Molecular Properties

Compound Name1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
PubChem CID68907241
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-22(24)20-13-12-19-17-21(23)15-14-18(19)16-20/h12-17,23H,2-11H2,1H3
InChIKeyGXXDVHFULUVAFA-UHFFFAOYSA-N
XLogP6.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.65
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

1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
CID 68906004
1-(2,5,8,11-tetraoxatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-16-yl)octan-1-one
CID 102066958
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950
octyl 6-hydroxynaphthalene-2-carboxylate
CID 54286697
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one?
The IUPAC name of 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one (CID 68907241) is 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one.
What is the SMILES notation for 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one?
The canonical SMILES for 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one is CCCCCCCCCCCC(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one?
The InChIKey is GXXDVHFULUVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-22(24)20-13-12-19-17-21(23)15-14-18(19)16-20/h12-17,23H,2-11H2,1H3.
What are the key properties of 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one?
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one has a molecular weight of 326.48 g/mol, XLogP of 6.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxynaphthalen-2-yl)dodecan-1-one is sourced from PubChem (CID 68907241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).