1-(6-methoxynaphthalen-2-yl)tetradecan-1-one

C25H36O2 — CID 608289

IUPAC1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-25(26)23-16-15-22-20-24(27-2)18-17-21(22)19-23/h15-20H,3-14H2,1-2H3
InChIKeyCWKAXGRUZLQWGK-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.73
Rot. Bonds14

About 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one

1-(6-methoxynaphthalen-2-yl)tetradecan-1-one (PubChem CID 608289) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
PubChem CID608289
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-25(26)23-16-15-22-20-24(27-2)18-17-21(22)19-23/h15-20H,3-14H2,1-2H3
InChIKeyCWKAXGRUZLQWGK-UHFFFAOYSA-N
XLogP7.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
CID 157305755
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one (CID 608289) is 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one is CCCCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one?
The InChIKey is CWKAXGRUZLQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-25(26)23-16-15-22-20-24(27-2)18-17-21(22)19-23/h15-20H,3-14H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one?
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one has a molecular weight of 368.56 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)tetradecan-1-one is sourced from PubChem (CID 608289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).