1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone

C18H20O4 — CID 54405970

IUPAC1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O3.C8H8O/c1-8(11)9-3-5-10(6-4-9)13-7-12-2;1-7(9)8-5-3-2-4-6-8/h3-6H,7H2,1-2H3;2-6H,1H3
InChIKeyVQRUJDBWAPWUEN-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.76
Rot. Bonds5

About 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone

1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone (PubChem CID 54405970) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
PubChem CID54405970
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O3.C8H8O/c1-8(11)9-3-5-10(6-4-9)13-7-12-2;1-7(9)8-5-3-2-4-6-8/h3-6H,7H2,1-2H3;2-6H,1H3
InChIKeyVQRUJDBWAPWUEN-UHFFFAOYSA-N
XLogP3.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxymethyl acetate;1-phenylethanone
CID 91080565
(Z)-3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 18473813
3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 70155103
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone?
The IUPAC name of 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone (CID 54405970) is 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone.
What is the SMILES notation for 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone?
The canonical SMILES for 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone is CC(=O)c1ccccc1.COCOc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone?
The InChIKey is VQRUJDBWAPWUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C8H8O/c1-8(11)9-3-5-10(6-4-9)13-7-12-2;1-7(9)8-5-3-2-4-6-8/h3-6H,7H2,1-2H3;2-6H,1H3.
What are the key properties of 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone?
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone has a molecular weight of 300.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone is sourced from PubChem (CID 54405970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).