ethane;1-(4-hexadecylphenyl)ethanone

C26H46O — CID 144958905

IUPACethane;1-(4-hexadecylphenyl)ethanone
SMILESCC.CCCCCCCCCCCCCCCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H40O.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-24(21-19-23)22(2)25;1-2/h18-21H,3-17H2,1-2H3;1-2H3
InChIKeyRWGWDWBMUJTYLS-UHFFFAOYSA-N
MW374.65 g/mol
LogP8.94
Rot. Bonds16

About ethane;1-(4-hexadecylphenyl)ethanone

ethane;1-(4-hexadecylphenyl)ethanone (PubChem CID 144958905) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is ethane;1-(4-hexadecylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-hexadecylphenyl)ethanone
PubChem CID144958905
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Nameethane;1-(4-hexadecylphenyl)ethanone
SMILESCC.CCCCCCCCCCCCCCCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H40O.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-24(21-19-23)22(2)25;1-2/h18-21H,3-17H2,1-2H3;1-2H3
InChIKeyRWGWDWBMUJTYLS-UHFFFAOYSA-N
XLogP8.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
2,2,2-trideuterio-1-[4-(4-heptylphenyl)phenyl]ethanone
CID 11369973
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
4-pentylbenzoyl bromide
CID 87349955
4-octylbenzamide;hydrochloride
CID 131740255
sodium 4-decylbenzoate
CID 68743346
1-[4-(4-heptylphenyl)phenyl]propane-1,2-dione
CID 20673138
4-(4-hexylphenyl)butan-2-one
CID 67820742
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
1H-imidazole;1-(4-pentylphenyl)ethanone
CID 174356985
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hexadecylphenyl)ethanone?
The IUPAC name of ethane;1-(4-hexadecylphenyl)ethanone (CID 144958905) is ethane;1-(4-hexadecylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-hexadecylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-hexadecylphenyl)ethanone is CC.CCCCCCCCCCCCCCCCc1ccc(C(C)=O)cc1.
What is the InChIKey of ethane;1-(4-hexadecylphenyl)ethanone?
The InChIKey is RWGWDWBMUJTYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-24(21-19-23)22(2)25;1-2/h18-21H,3-17H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-hexadecylphenyl)ethanone?
ethane;1-(4-hexadecylphenyl)ethanone has a molecular weight of 374.65 g/mol, XLogP of 8.94, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hexadecylphenyl)ethanone is sourced from PubChem (CID 144958905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).