1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone

C11H14O4 — CID 23439770

IUPAC1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(OC)cc(C(C)=O)c1
InChIInChI=1S/C11H14O4/c1-8(12)9-4-10(14-3)6-11(5-9)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeySRBQEHKHUVTRHJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.88
Rot. Bonds5

About 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone

1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone (PubChem CID 23439770) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
PubChem CID23439770
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(OC)cc(C(C)=O)c1
InChIInChI=1S/C11H14O4/c1-8(12)9-4-10(14-3)6-11(5-9)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeySRBQEHKHUVTRHJ-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.88
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

1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
1-[3-(chloromethyl)-5-methoxyphenyl]ethanone
CID 70550053
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
3-(methoxymethoxy)-5-(trifluoromethoxy)benzoic acid
CID 164895616
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
1-[3-[(4-tert-butyl-2-methylphenyl)methoxy]-5-methoxyphenyl]ethanone
CID 144776955
1-[3-methoxy-5-(methylamino)phenyl]ethanone
CID 137398658

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone (CID 23439770) is 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone is COCOc1cc(OC)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone?
The InChIKey is SRBQEHKHUVTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)9-4-10(14-3)6-11(5-9)15-7-13-2/h4-6H,7H2,1-3H3.
What are the key properties of 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone?
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone has a molecular weight of 210.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 23439770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).