1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one

C18H20O3 — CID 63084833

IUPAC1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H20O3/c1-18(2,13-8-6-5-7-9-13)17(19)15-11-10-14(20-3)12-16(15)21-4/h5-12H,1-4H3
InChIKeyALAYHDYNISPEFT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.86
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one

1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 63084833) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
PubChem CID63084833
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H20O3/c1-18(2,13-8-6-5-7-9-13)17(19)15-11-10-14(20-3)12-16(15)21-4/h5-12H,1-4H3
InChIKeyALAYHDYNISPEFT-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
3-chloro-1-(2,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
CID 146006279
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
2,4-dimethoxybenzoate
CID 6947027
1-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006273
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one (CID 63084833) is 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one is COc1ccc(C(=O)C(C)(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is ALAYHDYNISPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,13-8-6-5-7-9-13)17(19)15-11-10-14(20-3)12-16(15)21-4/h5-12H,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one?
1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 63084833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).