1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone

C23H22O3 — CID 147786681

IUPAC1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(COCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C23H22O3/c1-18(24)22-13-12-21(16-25-15-19-8-4-2-5-9-19)14-23(22)26-17-20-10-6-3-7-11-20/h2-14H,15-17H2,1H3
InChIKeyHIUZUMDLHXQLAF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.18
Rot. Bonds8

About 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone

1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone (PubChem CID 147786681) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
PubChem CID147786681
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(COCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C23H22O3/c1-18(24)22-13-12-21(16-25-15-19-8-4-2-5-9-19)14-23(22)26-17-20-10-6-3-7-11-20/h2-14H,15-17H2,1H3
InChIKeyHIUZUMDLHXQLAF-UHFFFAOYSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone (CID 147786681) is 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone is CC(=O)c1ccc(COCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone?
The InChIKey is HIUZUMDLHXQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-18(24)22-13-12-21(16-25-15-19-8-4-2-5-9-19)14-23(22)26-17-20-10-6-3-7-11-20/h2-14H,15-17H2,1H3.
What are the key properties of 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone?
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone is sourced from PubChem (CID 147786681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).