1-(4-ethylphenyl)-2,2-dipropoxyethanone

C16H24O3 — CID 14761625

IUPAC1-(4-ethylphenyl)-2,2-dipropoxyethanone
SMILESCCCOC(OCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H24O3/c1-4-11-18-16(19-12-5-2)15(17)14-9-7-13(6-3)8-10-14/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyLZGCQYUCEGBUSB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.61
Rot. Bonds9

About 1-(4-ethylphenyl)-2,2-dipropoxyethanone

1-(4-ethylphenyl)-2,2-dipropoxyethanone (PubChem CID 14761625) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,2-dipropoxyethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,2-dipropoxyethanone
PubChem CID14761625
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(4-ethylphenyl)-2,2-dipropoxyethanone
SMILESCCCOC(OCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H24O3/c1-4-11-18-16(19-12-5-2)15(17)14-9-7-13(6-3)8-10-14/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyLZGCQYUCEGBUSB-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
2-butoxy-2-(4-chlorobutoxy)-1-phenylethanone
CID 54147806
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
CID 60904693
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
propan-2-yl 4-ethylbenzoate
CID 583760
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,2-dipropoxyethanone?
The IUPAC name of 1-(4-ethylphenyl)-2,2-dipropoxyethanone (CID 14761625) is 1-(4-ethylphenyl)-2,2-dipropoxyethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2,2-dipropoxyethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2,2-dipropoxyethanone is CCCOC(OCCC)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,2-dipropoxyethanone?
The InChIKey is LZGCQYUCEGBUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-11-18-16(19-12-5-2)15(17)14-9-7-13(6-3)8-10-14/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2,2-dipropoxyethanone?
1-(4-ethylphenyl)-2,2-dipropoxyethanone has a molecular weight of 264.37 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,2-dipropoxyethanone is sourced from PubChem (CID 14761625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).