methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate

C21H26O4 — CID 134463890

IUPACmethyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate
SMILESCOC(=O)Cc1c(C)c(C)c(C)c(C)c1OCc1ccc(OC)cc1
InChIInChI=1S/C21H26O4/c1-13-14(2)16(4)21(19(15(13)3)11-20(22)24-6)25-12-17-7-9-18(23-5)10-8-17/h7-10H,11-12H2,1-6H3
InChIKeyZHCZJADJLGANPJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.22
Rot. Bonds6

About methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate

methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate (PubChem CID 134463890) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate
PubChem CID134463890
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Namemethyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate
SMILESCOC(=O)Cc1c(C)c(C)c(C)c(C)c1OCc1ccc(OC)cc1
InChIInChI=1S/C21H26O4/c1-13-14(2)16(4)21(19(15(13)3)11-20(22)24-6)25-12-17-7-9-18(23-5)10-8-17/h7-10H,11-12H2,1-6H3
InChIKeyZHCZJADJLGANPJ-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
methyl 2-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1307271
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 11974612
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
methyl 2-[6-fluoro-3-methyl-4-[(4-phenylmethoxyphenyl)methyl]naphthalen-2-yl]acetate
CID 59350813
4-methoxy-N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)benzamide
CID 86303799

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate?
The IUPAC name of methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate (CID 134463890) is methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate?
The canonical SMILES for methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate is COC(=O)Cc1c(C)c(C)c(C)c(C)c1OCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate?
The InChIKey is ZHCZJADJLGANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-13-14(2)16(4)21(19(15(13)3)11-20(22)24-6)25-12-17-7-9-18(23-5)10-8-17/h7-10H,11-12H2,1-6H3.
What are the key properties of methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate?
methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate has a molecular weight of 342.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetramethylphenyl]acetate is sourced from PubChem (CID 134463890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).