methyl 2-(2,4-dimethoxyphenyl)benzoate

C16H16O4 — CID 14078327

IUPACmethyl 2-(2,4-dimethoxyphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H16O4/c1-18-11-8-9-13(15(10-11)19-2)12-6-4-5-7-14(12)16(17)20-3/h4-10H,1-3H3
InChIKeyFPTRFRCWUREIMF-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds4

About methyl 2-(2,4-dimethoxyphenyl)benzoate

methyl 2-(2,4-dimethoxyphenyl)benzoate (PubChem CID 14078327) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)benzoate
PubChem CID14078327
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H16O4/c1-18-11-8-9-13(15(10-11)19-2)12-6-4-5-7-14(12)16(17)20-3/h4-10H,1-3H3
InChIKeyFPTRFRCWUREIMF-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
CID 11844440
3-(2,4-dimethoxyphenyl)-2-methylbenzoate
CID 86307310
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
CID 177204841
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)benzoate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)benzoate (CID 14078327) is methyl 2-(2,4-dimethoxyphenyl)benzoate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)benzoate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)benzoate is COC(=O)c1ccccc1-c1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)benzoate?
The InChIKey is FPTRFRCWUREIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-11-8-9-13(15(10-11)19-2)12-6-4-5-7-14(12)16(17)20-3/h4-10H,1-3H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)benzoate?
methyl 2-(2,4-dimethoxyphenyl)benzoate has a molecular weight of 272.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)benzoate is sourced from PubChem (CID 14078327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).