methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate

C17H18O5 — CID 15186062

IUPACmethyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18O5/c1-19-15-9-4-12(10-16(15)20-2)11-22-14-7-5-13(6-8-14)17(18)21-3/h4-10H,11H2,1-3H3
InChIKeyBCGQHKYTPWWUAD-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.07
Rot. Bonds6

About methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate

methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate (PubChem CID 15186062) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
PubChem CID15186062
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18O5/c1-19-15-9-4-12(10-16(15)20-2)11-22-14-7-5-13(6-8-14)17(18)21-3/h4-10H,11H2,1-3H3
InChIKeyBCGQHKYTPWWUAD-UHFFFAOYSA-N
XLogP3.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
CID 59204228
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 46664178

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate (CID 15186062) is methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate?
The InChIKey is BCGQHKYTPWWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-15-9-4-12(10-16(15)20-2)11-22-14-7-5-13(6-8-14)17(18)21-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate?
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate has a molecular weight of 302.33 g/mol, XLogP of 3.07, 6 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)methoxy]benzoate is sourced from PubChem (CID 15186062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).