1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone

C20H24O4 — CID 54297695

IUPAC1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(C)=O)cc1.COCc1cccc(C(C)=O)c1
InChIInChI=1S/2C10H12O2/c1-8(11)10-5-3-9(4-6-10)7-12-2;1-8(11)10-5-3-4-9(6-10)7-12-2/h2*3-6H,7H2,1-2H3
InChIKeySBYCFOZINYJQGE-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.07
Rot. Bonds6

About 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone

1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone (PubChem CID 54297695) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
PubChem CID54297695
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(C)=O)cc1.COCc1cccc(C(C)=O)c1
InChIInChI=1S/2C10H12O2/c1-8(11)10-5-3-9(4-6-10)7-12-2;1-8(11)10-5-3-4-9(6-10)7-12-2/h2*3-6H,7H2,1-2H3
InChIKeySBYCFOZINYJQGE-UHFFFAOYSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9064856
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877
2-(3-acetylphenoxy)-N-[3-(methoxymethyl)phenyl]acetamide
CID 33099560
ethyl 2-[3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117317819
propyl 3-(methoxymethyl)benzoate
CID 78846700
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-(3-acetylphenyl)propan-2-one
CID 12950417
(Z)-1,2,3,4-tetrakis[4-(methoxymethyl)phenyl]but-2-ene-1,4-dione
CID 10907869

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone (CID 54297695) is 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone is COCc1ccc(C(C)=O)cc1.COCc1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone?
The InChIKey is SBYCFOZINYJQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O2/c1-8(11)10-5-3-9(4-6-10)7-12-2;1-8(11)10-5-3-4-9(6-10)7-12-2/h2*3-6H,7H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone?
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 54297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).