1-(2-ethoxy-6-ethylphenyl)ethanone

C12H16O2 — CID 147544535

IUPAC1-(2-ethoxy-6-ethylphenyl)ethanone
SMILESCCOc1cccc(CC)c1C(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(14-5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyFPOLKCUOCZTVAZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-ethoxy-6-ethylphenyl)ethanone

1-(2-ethoxy-6-ethylphenyl)ethanone (PubChem CID 147544535) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-ethoxy-6-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-6-ethylphenyl)ethanone
PubChem CID147544535
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2-ethoxy-6-ethylphenyl)ethanone
SMILESCCOc1cccc(CC)c1C(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(14-5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyFPOLKCUOCZTVAZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-(2,6-diethylphenyl)ethanone
CID 14939611
1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
CID 170996692
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
2-ethoxy-6-propylbenzoic acid
CID 142472864
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297
2-ethyl-6-(iodomethoxy)benzamide
CID 70653912
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
3-bromo-1-(2,6-diethoxyphenyl)propan-1-one
CID 134624450
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-ethylphenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-6-ethylphenyl)ethanone (CID 147544535) is 1-(2-ethoxy-6-ethylphenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-6-ethylphenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-6-ethylphenyl)ethanone is CCOc1cccc(CC)c1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-6-ethylphenyl)ethanone?
The InChIKey is FPOLKCUOCZTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10-7-6-8-11(14-5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-ethoxy-6-ethylphenyl)ethanone?
1-(2-ethoxy-6-ethylphenyl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-ethylphenyl)ethanone is sourced from PubChem (CID 147544535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).