1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone

C12H16O2 — CID 89361495

IUPAC1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
SMILESCCc1cc(COC)cc(C(C)=O)c1
InChIInChI=1S/C12H16O2/c1-4-10-5-11(8-14-3)7-12(6-10)9(2)13/h5-7H,4,8H2,1-3H3
InChIKeyHUGILOPLYIFCEO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds4

About 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone

1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone (PubChem CID 89361495) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
PubChem CID89361495
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
SMILESCCc1cc(COC)cc(C(C)=O)c1
InChIInChI=1S/C12H16O2/c1-4-10-5-11(8-14-3)7-12(6-10)9(2)13/h5-7H,4,8H2,1-3H3
InChIKeyHUGILOPLYIFCEO-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
3-ethoxycarbonyl-5-(methoxymethyl)benzoic acid
CID 69129941
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[3-tert-butyl-5-(propoxymethyl)phenyl]ethanone
CID 58136896
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
[5-(methoxymethyl)-3-pyridinyl]methyl acetate
CID 54247300
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433
methyl N-(3,5-diethylphenyl)carbamate
CID 13150461
ethyl 3-cyano-5-(methoxymethyl)benzoate
CID 22996220
1-[3,5-bis(methylaminomethyl)phenyl]ethanone
CID 176977307

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone (CID 89361495) is 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone is CCc1cc(COC)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone?
The InChIKey is HUGILOPLYIFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10-5-11(8-14-3)7-12(6-10)9(2)13/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone?
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 89361495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).