methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate

C18H20O6 — CID 10936482

IUPACmethyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
SMILESCOCOc1cc(OCc2ccccc2)c(OC)cc1C(=O)OC
InChIInChI=1S/C18H20O6/c1-20-12-24-15-10-17(23-11-13-7-5-4-6-8-13)16(21-2)9-14(15)18(19)22-3/h4-10H,11-12H2,1-3H3
InChIKeyYTDJVYKAFWZNAZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.04
Rot. Bonds8

About methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate

methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate (PubChem CID 10936482) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
PubChem CID10936482
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Namemethyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
SMILESCOCOc1cc(OCc2ccccc2)c(OC)cc1C(=O)OC
InChIInChI=1S/C18H20O6/c1-20-12-24-15-10-17(23-11-13-7-5-4-6-8-13)16(21-2)9-14(15)18(19)22-3/h4-10H,11-12H2,1-3H3
InChIKeyYTDJVYKAFWZNAZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
CID 142496966
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
CID 59769008
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate?
The IUPAC name of methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate (CID 10936482) is methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate is COCOc1cc(OCc2ccccc2)c(OC)cc1C(=O)OC.
What is the InChIKey of methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate?
The InChIKey is YTDJVYKAFWZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-12-24-15-10-17(23-11-13-7-5-4-6-8-13)16(21-2)9-14(15)18(19)22-3/h4-10H,11-12H2,1-3H3.
What are the key properties of methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate?
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate has a molecular weight of 332.35 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate is sourced from PubChem (CID 10936482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).