methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate

C17H18O4 — CID 11414943

IUPACmethyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(C)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-12-15(19-2)9-14(17(18)20-3)10-16(12)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyLYGXCJJSYIBSDE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.37
Rot. Bonds5

About methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate

methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate (PubChem CID 11414943) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
PubChem CID11414943
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(C)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-12-15(19-2)9-14(17(18)20-3)10-16(12)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyLYGXCJJSYIBSDE-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate
CID 90870872

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate?
The IUPAC name of methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate (CID 11414943) is methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate is COC(=O)c1cc(OC)c(C)c(OCc2ccccc2)c1.
What is the InChIKey of methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate?
The InChIKey is LYGXCJJSYIBSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-15(19-2)9-14(17(18)20-3)10-16(12)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate?
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate is sourced from PubChem (CID 11414943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).