1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one

C12H16O3 — CID 83883722

IUPAC1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1ccc(OC)c(CC(C)=O)c1
InChIInChI=1S/C12H16O3/c1-9(13)6-11-7-10(8-14-2)4-5-12(11)15-3/h4-5,7H,6,8H2,1-3H3
InChIKeyBVZHEGIGYPOWKA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one

1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one (PubChem CID 83883722) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
PubChem CID83883722
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1ccc(OC)c(CC(C)=O)c1
InChIInChI=1S/C12H16O3/c1-9(13)6-11-7-10(8-14-2)4-5-12(11)15-3/h4-5,7H,6,8H2,1-3H3
InChIKeyBVZHEGIGYPOWKA-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
CID 117349006
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862
[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
CID 118441123
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 58444255
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one (CID 83883722) is 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one is COCc1ccc(OC)c(CC(C)=O)c1.
What is the InChIKey of 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The InChIKey is BVZHEGIGYPOWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13)6-11-7-10(8-14-2)4-5-12(11)15-3/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 83883722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).