1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone

C22H20O3 — CID 14597431

IUPAC1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16(23)18-5-7-19(8-6-18)20-9-13-22(14-10-20)25-15-17-3-11-21(24-2)12-4-17/h3-14H,15H2,1-2H3
InChIKeyPARYROBXBUOFAR-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.14
Rot. Bonds6

About 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone

1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone (PubChem CID 14597431) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
PubChem CID14597431
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16(23)18-5-7-19(8-6-18)20-9-13-22(14-10-20)25-15-17-3-11-21(24-2)12-4-17/h3-14H,15H2,1-2H3
InChIKeyPARYROBXBUOFAR-UHFFFAOYSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone (CID 14597431) is 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone is COc1ccc(COc2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone?
The InChIKey is PARYROBXBUOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-16(23)18-5-7-19(8-6-18)20-9-13-22(14-10-20)25-15-17-3-11-21(24-2)12-4-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone?
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone is sourced from PubChem (CID 14597431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).