1-(4-hexylphenyl)-3-methoxypropan-1-one

C16H24O2 — CID 82050296

IUPAC1-(4-hexylphenyl)-3-methoxypropan-1-one
SMILESCCCCCCc1ccc(C(=O)CCOC)cc1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)16(17)12-13-18-2/h8-11H,3-7,12-13H2,1-2H3
InChIKeyMAEOAIAJSNNAKM-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.03
Rot. Bonds9

About 1-(4-hexylphenyl)-3-methoxypropan-1-one

1-(4-hexylphenyl)-3-methoxypropan-1-one (PubChem CID 82050296) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(4-hexylphenyl)-3-methoxypropan-1-one
PubChem CID82050296
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-hexylphenyl)-3-methoxypropan-1-one
SMILESCCCCCCc1ccc(C(=O)CCOC)cc1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)16(17)12-13-18-2/h8-11H,3-7,12-13H2,1-2H3
InChIKeyMAEOAIAJSNNAKM-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.03
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

4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
3-chloro-1-(4-heptylphenyl)propan-1-one
CID 18475165
1-(4-propylphenyl)decan-1-one
CID 65449493
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
5-(4-octylphenyl)-5-oxopentanal
CID 134936348
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
(4-heptylphenyl) 4-hexanoylbenzoate
CID 86135918
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
CID 3951967
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
5-methoxy-1-(4-propylphenyl)pentane-1,3-dione
CID 43321437
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(4-hexylphenyl)-3-methoxypropan-1-one (CID 82050296) is 1-(4-hexylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(4-hexylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(4-hexylphenyl)-3-methoxypropan-1-one is CCCCCCc1ccc(C(=O)CCOC)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-3-methoxypropan-1-one?
The InChIKey is MAEOAIAJSNNAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)16(17)12-13-18-2/h8-11H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-hexylphenyl)-3-methoxypropan-1-one?
1-(4-hexylphenyl)-3-methoxypropan-1-one has a molecular weight of 248.37 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 82050296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).