1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone

C22H20O2 — CID 71344884

IUPAC1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
SMILESCOCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-16(23)18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-17(4-6-19)15-24-2/h3-14H,15H2,1-2H3
InChIKeyHQPYSNAVOZPCIT-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.37
Rot. Bonds5

About 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone

1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone (PubChem CID 71344884) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
PubChem CID71344884
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
SMILESCOCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-16(23)18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-17(4-6-19)15-24-2/h3-14H,15H2,1-2H3
InChIKeyHQPYSNAVOZPCIT-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
(Z)-1,2,3,4-tetrakis[4-(methoxymethyl)phenyl]but-2-ene-1,4-dione
CID 10907869
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
methyl 2-[4-(methoxymethyl)phenyl]-2-oxoacetate
CID 91655841
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800
(4-acetylphenyl)methyl nitrate
CID 58158806

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone (CID 71344884) is 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone is COCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone?
The InChIKey is HQPYSNAVOZPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16(23)18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-17(4-6-19)15-24-2/h3-14H,15H2,1-2H3.
What are the key properties of 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone?
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 71344884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).