methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate

C17H18O5 — CID 14750800

IUPACmethyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C17H18O5/c1-19-14-8-6-12(10-16(14)21-3)11-5-7-13(17(18)22-4)15(9-11)20-2/h5-10H,1-4H3
InChIKeyJUPMWNORGHKLTA-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.17
Rot. Bonds5

About methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate

methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate (PubChem CID 14750800) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
PubChem CID14750800
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C17H18O5/c1-19-14-8-6-12(10-16(14)21-3)11-5-7-13(17(18)22-4)15(9-11)20-2/h5-10H,1-4H3
InChIKeyJUPMWNORGHKLTA-UHFFFAOYSA-N
XLogP3.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-[2-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-2-methoxybenzoate
CID 170459546
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethynyl]-2,4-dimethoxyphenyl]ethynyl]-2-methoxybenzoate
CID 171933786
CID 171840730
CID 171840730
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 18369996
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 4-(diaminomethylideneamino)-2-methoxybenzoate;hydrochloride
CID 117064548

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate?
The IUPAC name of methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate (CID 14750800) is methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate is COC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate?
The InChIKey is JUPMWNORGHKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-14-8-6-12(10-16(14)21-3)11-5-7-13(17(18)22-4)15(9-11)20-2/h5-10H,1-4H3.
What are the key properties of methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate?
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate is sourced from PubChem (CID 14750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).