3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one

C18H19ClO2 — CID 106867161

IUPAC3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClO2/c1-3-21-18(14-7-5-4-6-8-14)17(20)12-15-10-9-13(2)11-16(15)19/h4-11,18H,3,12H2,1-2H3
InChIKeyBLURWTLTWUEQND-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.54
Rot. Bonds6

About 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one

3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one (PubChem CID 106867161) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
PubChem CID106867161
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClO2/c1-3-21-18(14-7-5-4-6-8-14)17(20)12-15-10-9-13(2)11-16(15)19/h4-11,18H,3,12H2,1-2H3
InChIKeyBLURWTLTWUEQND-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
CID 106871178
1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778
1-(2-chloro-4-methylphenyl)-3-ethoxy-3-ethylpentan-2-one
CID 106867133
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one (CID 106867161) is 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one is CCOC(C(=O)Cc1ccc(C)cc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one?
The InChIKey is BLURWTLTWUEQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-3-21-18(14-7-5-4-6-8-14)17(20)12-15-10-9-13(2)11-16(15)19/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one?
3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one has a molecular weight of 302.80 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one is sourced from PubChem (CID 106867161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).