methyl 5-methoxy-2-(2-methoxyphenyl)benzoate

C16H16O4 — CID 11844441

IUPACmethyl 5-methoxy-2-(2-methoxyphenyl)benzoate
SMILESCOC(=O)c1cc(OC)ccc1-c1ccccc1OC
InChIInChI=1S/C16H16O4/c1-18-11-8-9-12(14(10-11)16(17)20-3)13-6-4-5-7-15(13)19-2/h4-10H,1-3H3
InChIKeyPKRQSBWVQOJRAW-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds4

About methyl 5-methoxy-2-(2-methoxyphenyl)benzoate

methyl 5-methoxy-2-(2-methoxyphenyl)benzoate (PubChem CID 11844441) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 5-methoxy-2-(2-methoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-(2-methoxyphenyl)benzoate
PubChem CID11844441
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 5-methoxy-2-(2-methoxyphenyl)benzoate
SMILESCOC(=O)c1cc(OC)ccc1-c1ccccc1OC
InChIInChI=1S/C16H16O4/c1-18-11-8-9-12(14(10-11)16(17)20-3)13-6-4-5-7-15(13)19-2/h4-10H,1-3H3
InChIKeyPKRQSBWVQOJRAW-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 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
CID 11844440
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
ethane;methyl 2-methoxybenzoate
CID 178037044
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 3-acetylazulene-1-carboxylate
CID 11241652
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
2-[4-methoxy-2-(2-methoxyphenyl)phenyl]prop-2-enamide
CID 175887500
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-(2-methoxyphenyl)benzoate?
The IUPAC name of methyl 5-methoxy-2-(2-methoxyphenyl)benzoate (CID 11844441) is methyl 5-methoxy-2-(2-methoxyphenyl)benzoate.
What is the SMILES notation for methyl 5-methoxy-2-(2-methoxyphenyl)benzoate?
The canonical SMILES for methyl 5-methoxy-2-(2-methoxyphenyl)benzoate is COC(=O)c1cc(OC)ccc1-c1ccccc1OC.
What is the InChIKey of methyl 5-methoxy-2-(2-methoxyphenyl)benzoate?
The InChIKey is PKRQSBWVQOJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-11-8-9-12(14(10-11)16(17)20-3)13-6-4-5-7-15(13)19-2/h4-10H,1-3H3.
What are the key properties of methyl 5-methoxy-2-(2-methoxyphenyl)benzoate?
methyl 5-methoxy-2-(2-methoxyphenyl)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 5-methoxy-2-(2-methoxyphenyl)benzoate is sourced from PubChem (CID 11844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).