1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride

C43H47ClO10 — CID 159189794

IUPAC1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride
SMILESCOc1ccc(C(=O)Cc2ccccc2OC)c(OC)c1.COc1cccc(C)c1.COc1ccccc1CC(=O)Cl.COc1ccccc1CC(=O)O
InChIInChI=1S/C17H18O4.C9H9ClO2.C9H10O3.C8H10O/c1-19-13-8-9-14(17(11-13)21-3)15(18)10-12-6-4-5-7-16(12)20-2;2*1-12-8-5-3-2-4-7(8)6-9(10)11;1-7-4-3-5-8(6-7)9-2/h4-9,11H,10H2,1-3H3;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,10,11);3-6H,1-2H3
InChIKeyKNYDHVCIAJCTOJ-UHFFFAOYSA-N
MW759.29 g/mol
LogP8.47
Rot. Bonds13

About 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride

1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride (PubChem CID 159189794) has the molecular formula C43H47ClO10 and a molecular weight of 759.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride
PubChem CID159189794
Molecular FormulaC43H47ClO10
Molecular Weight759.29 g/mol
Exact Mass758.29
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride
SMILESCOc1ccc(C(=O)Cc2ccccc2OC)c(OC)c1.COc1cccc(C)c1.COc1ccccc1CC(=O)Cl.COc1ccccc1CC(=O)O
InChIInChI=1S/C17H18O4.C9H9ClO2.C9H10O3.C8H10O/c1-19-13-8-9-14(17(11-13)21-3)15(18)10-12-6-4-5-7-16(12)20-2;2*1-12-8-5-3-2-4-7(8)6-9(10)11;1-7-4-3-5-8(6-7)9-2/h4-9,11H,10H2,1-3H3;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,10,11);3-6H,1-2H3
InChIKeyKNYDHVCIAJCTOJ-UHFFFAOYSA-N
XLogP8.47
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.29
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
ethyl 4-chloro-4-oxobutanoate;ethyl 4-(2-methoxy-4-methylphenyl)-4-oxobutanoate;1-methoxy-3-methylbenzene
CID 159454549
1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene
CID 90836211
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride (CID 159189794) is 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride is COc1ccc(C(=O)Cc2ccccc2OC)c(OC)c1.COc1cccc(C)c1.COc1ccccc1CC(=O)Cl.COc1ccccc1CC(=O)O.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride?
The InChIKey is KNYDHVCIAJCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4.C9H9ClO2.C9H10O3.C8H10O/c1-19-13-8-9-14(17(11-13)21-3)15(18)10-12-6-4-5-7-16(12)20-2;2*1-12-8-5-3-2-4-7(8)6-9(10)11;1-7-4-3-5-8(6-7)9-2/h4-9,11H,10H2,1-3H3;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,10,11);3-6H,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride?
1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride has a molecular weight of 759.29 g/mol, XLogP of 8.47, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride is sourced from PubChem (CID 159189794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).