1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one

C19H22O2 — CID 114965749

IUPAC1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C19H22O2/c1-13-5-7-15(3)16(9-13)11-18(20)12-17-10-14(2)6-8-19(17)21-4/h5-10H,11-12H2,1-4H3
InChIKeyFJWXHAKXVZLVNM-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.97
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one

1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one (PubChem CID 114965749) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
PubChem CID114965749
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C19H22O2/c1-13-5-7-15(3)16(9-13)11-18(20)12-17-10-14(2)6-8-19(17)21-4/h5-10H,11-12H2,1-4H3
InChIKeyFJWXHAKXVZLVNM-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one (CID 114965749) is 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one is COc1ccc(C)cc1CC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The InChIKey is FJWXHAKXVZLVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-5-7-15(3)16(9-13)11-18(20)12-17-10-14(2)6-8-19(17)21-4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one has a molecular weight of 282.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 114965749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).