6-(4-methoxyphenyl)hexadecan-8-one

C23H38O2 — CID 132549472

IUPAC6-(4-methoxyphenyl)hexadecan-8-one
SMILESCCCCCCCCC(=O)CC(CCCCC)c1ccc(OC)cc1
InChIInChI=1S/C23H38O2/c1-4-6-8-9-10-12-14-22(24)19-21(13-11-7-5-2)20-15-17-23(25-3)18-16-20/h15-18,21H,4-14,19H2,1-3H3
InChIKeyVLEYHTIOCFDPJM-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.07
Rot. Bonds15

About 6-(4-methoxyphenyl)hexadecan-8-one

6-(4-methoxyphenyl)hexadecan-8-one (PubChem CID 132549472) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)hexadecan-8-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)hexadecan-8-one
PubChem CID132549472
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name6-(4-methoxyphenyl)hexadecan-8-one
SMILESCCCCCCCCC(=O)CC(CCCCC)c1ccc(OC)cc1
InChIInChI=1S/C23H38O2/c1-4-6-8-9-10-12-14-22(24)19-21(13-11-7-5-2)20-15-17-23(25-3)18-16-20/h15-18,21H,4-14,19H2,1-3H3
InChIKeyVLEYHTIOCFDPJM-UHFFFAOYSA-N
XLogP7.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.07
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

1,4-dimethoxybenzene;octan-3-one
CID 174621330
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
(3S)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)heptan-1-one
CID 101470095
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
2-(4-methoxyphenyl)octan-3-one
CID 71426807
anisole;hexadecan-2-one
CID 167511071

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)hexadecan-8-one?
The IUPAC name of 6-(4-methoxyphenyl)hexadecan-8-one (CID 132549472) is 6-(4-methoxyphenyl)hexadecan-8-one.
What is the SMILES notation for 6-(4-methoxyphenyl)hexadecan-8-one?
The canonical SMILES for 6-(4-methoxyphenyl)hexadecan-8-one is CCCCCCCCC(=O)CC(CCCCC)c1ccc(OC)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)hexadecan-8-one?
The InChIKey is VLEYHTIOCFDPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c1-4-6-8-9-10-12-14-22(24)19-21(13-11-7-5-2)20-15-17-23(25-3)18-16-20/h15-18,21H,4-14,19H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)hexadecan-8-one?
6-(4-methoxyphenyl)hexadecan-8-one has a molecular weight of 346.56 g/mol, XLogP of 7.07, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)hexadecan-8-one is sourced from PubChem (CID 132549472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).