2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one

C19H22O2 — CID 43412320

IUPAC2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H22O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3
InChIKeyGLRYKKXAOZRJIG-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.57
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one

2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 43412320) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID43412320
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H22O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3
InChIKeyGLRYKKXAOZRJIG-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-iodophenoxy)propan-1-one
CID 60626864
1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
4-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 3597049
2-(4-bromo-3-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 65201081
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
2-(3,4-dimethylphenoxy)propanoate
CID 4744716
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one (CID 43412320) is 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(OC(C)C(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is GLRYKKXAOZRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one?
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 43412320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).