1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone

C19H22O3 — CID 2216486

IUPAC1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
SMILESCCCCOc1ccc(OCc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-3-4-13-21-18-9-11-19(12-10-18)22-14-16-5-7-17(8-6-16)15(2)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUFZUNBNBSGCJHP-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.65
Rot. Bonds8

About 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone

1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone (PubChem CID 2216486) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
PubChem CID2216486
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
SMILESCCCCOc1ccc(OCc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-3-4-13-21-18-9-11-19(12-10-18)22-14-16-5-7-17(8-6-16)15(2)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUFZUNBNBSGCJHP-UHFFFAOYSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.65
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

1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
4-[(4-octoxyphenyl)methoxy]benzoic acid
CID 57070929
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
1-(4-acetylphenoxy)heptan-4-one
CID 155105083
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216
butyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 13176542

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone (CID 2216486) is 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone is CCCCOc1ccc(OCc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone?
The InChIKey is UFZUNBNBSGCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-4-13-21-18-9-11-19(12-10-18)22-14-16-5-7-17(8-6-16)15(2)20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone?
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone has a molecular weight of 298.38 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone is sourced from PubChem (CID 2216486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).