1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one

C12H15ClO2 — CID 106865364

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6H,3,7-8H2,1-2H3
InChIKeyFPEFOSDYHAXXJE-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one

1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one (PubChem CID 106865364) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
PubChem CID106865364
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6H,3,7-8H2,1-2H3
InChIKeyFPEFOSDYHAXXJE-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600
1-(2-chloro-4-methylphenyl)octan-2-one
CID 106865282
5-amino-1-(2-chloro-4-methylphenyl)hexan-2-one
CID 106871241
1-(2-chloro-4-methylphenyl)-3-ethoxy-3-ethylpentan-2-one
CID 106867133
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-one
CID 106865329
1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
CID 106862753

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one (CID 106865364) is 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one is CCOCC(=O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one?
The InChIKey is FPEFOSDYHAXXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-15-8-11(14)7-10-5-4-9(2)6-12(10)13/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one?
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one has a molecular weight of 226.70 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one is sourced from PubChem (CID 106865364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).