methyl 4-(3,4-dimethoxyphenyl)benzoate

C16H16O4 — CID 14570120

IUPACmethyl 4-(3,4-dimethoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H16O4/c1-18-14-9-8-13(10-15(14)19-2)11-4-6-12(7-5-11)16(17)20-3/h4-10H,1-3H3
InChIKeyMVDHOJUHRYPXIP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds4

About methyl 4-(3,4-dimethoxyphenyl)benzoate

methyl 4-(3,4-dimethoxyphenyl)benzoate (PubChem CID 14570120) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxyphenyl)benzoate
PubChem CID14570120
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 4-(3,4-dimethoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H16O4/c1-18-14-9-8-13(10-15(14)19-2)11-4-6-12(7-5-11)16(17)20-3/h4-10H,1-3H3
InChIKeyMVDHOJUHRYPXIP-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

4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
3-[4-(3,4-dimethoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887229
methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
CID 172869627
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxyphenyl)benzoate?
The IUPAC name of methyl 4-(3,4-dimethoxyphenyl)benzoate (CID 14570120) is methyl 4-(3,4-dimethoxyphenyl)benzoate.
What is the SMILES notation for methyl 4-(3,4-dimethoxyphenyl)benzoate?
The canonical SMILES for methyl 4-(3,4-dimethoxyphenyl)benzoate is COC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-(3,4-dimethoxyphenyl)benzoate?
The InChIKey is MVDHOJUHRYPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-14-9-8-13(10-15(14)19-2)11-4-6-12(7-5-11)16(17)20-3/h4-10H,1-3H3.
What are the key properties of methyl 4-(3,4-dimethoxyphenyl)benzoate?
methyl 4-(3,4-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 4-(3,4-dimethoxyphenyl)benzoate is sourced from PubChem (CID 14570120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).