methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate

C18H20O5 — CID 134307216

IUPACmethyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-15-7-4-13(5-8-15)12-23-16-9-6-14(10-17(16)21-2)11-18(19)22-3/h4-10H,11-12H2,1-3H3
InChIKeyYKNOYKWVZOHYQT-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate

methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate (PubChem CID 134307216) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
PubChem CID134307216
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namemethyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-15-7-4-13(5-8-15)12-23-16-9-6-14(10-17(16)21-2)11-18(19)22-3/h4-10H,11-12H2,1-3H3
InChIKeyYKNOYKWVZOHYQT-UHFFFAOYSA-N
XLogP3.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
methyl 2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]acetate
CID 164723752
methyl 2-[2-[[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-bromomethyl]-1,3-benzodioxol-5-yl]acetate
CID 89180760
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
[4-(2-methoxy-2-oxoethyl)phenyl] 3,4-dimethoxybenzoate
CID 51536723
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
[2-methoxy-4-(2-methoxy-2-oxoethyl)phenyl] 3,4,5-trihydroxybenzoate
CID 89045538
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate (CID 134307216) is methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate is COC(=O)Cc1ccc(OCc2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate?
The InChIKey is YKNOYKWVZOHYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-15-7-4-13(5-8-15)12-23-16-9-6-14(10-17(16)21-2)11-18(19)22-3/h4-10H,11-12H2,1-3H3.
What are the key properties of methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate?
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate has a molecular weight of 316.35 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate is sourced from PubChem (CID 134307216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).