1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone

C18H20O3 — CID 21110216

IUPAC1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-15(19)17-8-10-18(11-9-17)21-13-5-12-20-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKeyJYCYINMPHHVGDX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.87
Rot. Bonds8

About 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone

1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone (PubChem CID 21110216) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
PubChem CID21110216
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-15(19)17-8-10-18(11-9-17)21-13-5-12-20-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKeyJYCYINMPHHVGDX-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
acetic acid;butoxymethylbenzene
CID 139463153
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
2-(4-acetylphenoxy)-N-phenylmethoxyacetamide
CID 26062081
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
3-[[4-(3-phenylmethoxypropoxy)phenyl]methylamino]propanoic acid
CID 66852860
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone (CID 21110216) is 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone is CC(=O)c1ccc(OCCCOCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone?
The InChIKey is JYCYINMPHHVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-15(19)17-8-10-18(11-9-17)21-13-5-12-20-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3.
What are the key properties of 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone?
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone is sourced from PubChem (CID 21110216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).