2-methoxy-1-naphthalen-2-yltetradecan-1-one

C25H36O2 — CID 20979765

IUPAC2-methoxy-1-naphthalen-2-yltetradecan-1-one
SMILESCCCCCCCCCCCCC(OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-17-24(27-2)25(26)23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20,24H,3-12,17H2,1-2H3
InChIKeyXZYVCGYMDJTQET-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.35
Rot. Bonds14

About 2-methoxy-1-naphthalen-2-yltetradecan-1-one

2-methoxy-1-naphthalen-2-yltetradecan-1-one (PubChem CID 20979765) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-methoxy-1-naphthalen-2-yltetradecan-1-one.

Molecular Properties

Compound Name2-methoxy-1-naphthalen-2-yltetradecan-1-one
PubChem CID20979765
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-methoxy-1-naphthalen-2-yltetradecan-1-one
SMILESCCCCCCCCCCCCC(OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-17-24(27-2)25(26)23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20,24H,3-12,17H2,1-2H3
InChIKeyXZYVCGYMDJTQET-UHFFFAOYSA-N
XLogP7.35
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 ≤ 57.35
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

N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
methyl 2-anthracen-1-yloxypentadecanoate
CID 175607148
methyl 2-anthracen-1-yloxyhexadecanoate
CID 175607188
N-octadecylnaphthalene-2-carboxamide
CID 20549010
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
N-heptylnaphthalene-2-carboxamide
CID 91722099
dimethyl 2,4-bis(naphthalene-2-carbonyl)pentanedioate
CID 102483861
N-pentylnaphthalene-2-carboxamide
CID 91722098

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-naphthalen-2-yltetradecan-1-one?
The IUPAC name of 2-methoxy-1-naphthalen-2-yltetradecan-1-one (CID 20979765) is 2-methoxy-1-naphthalen-2-yltetradecan-1-one.
What is the SMILES notation for 2-methoxy-1-naphthalen-2-yltetradecan-1-one?
The canonical SMILES for 2-methoxy-1-naphthalen-2-yltetradecan-1-one is CCCCCCCCCCCCC(OC)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-1-naphthalen-2-yltetradecan-1-one?
The InChIKey is XZYVCGYMDJTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-3-4-5-6-7-8-9-10-11-12-17-24(27-2)25(26)23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20,24H,3-12,17H2,1-2H3.
What are the key properties of 2-methoxy-1-naphthalen-2-yltetradecan-1-one?
2-methoxy-1-naphthalen-2-yltetradecan-1-one has a molecular weight of 368.56 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-naphthalen-2-yltetradecan-1-one is sourced from PubChem (CID 20979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).