methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate

C25H26O5 — CID 90870872

IUPACmethyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate
SMILESCOC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)c(C)c1CCO
InChIInChI=1S/C25H26O5/c1-18-21(13-14-26)24(25(27)28-2)23(30-17-20-11-7-4-8-12-20)15-22(18)29-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16-17H2,1-2H3
InChIKeyGNGMNGQDPYKWTD-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.47
Rot. Bonds9

About methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate

methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate (PubChem CID 90870872) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate
PubChem CID90870872
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Namemethyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate
SMILESCOC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)c(C)c1CCO
InChIInChI=1S/C25H26O5/c1-18-21(13-14-26)24(25(27)28-2)23(30-17-20-11-7-4-8-12-20)15-22(18)29-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16-17H2,1-2H3
InChIKeyGNGMNGQDPYKWTD-UHFFFAOYSA-N
XLogP4.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-2-(2-hydroxyethyl)-3-methyl-6-phenylmethoxybenzoate
CID 90855197
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
phosphanyl 3-bromo-4-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 126585934
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 4-[[ethoxycarbonyl-[(4-methoxycarbonyl-3-phenylmethoxyphenyl)methyl]amino]methyl]-2-phenylmethoxybenzoate
CID 22088372
dimethyl 4-phenylmethoxy-3-(5-phenylpentoxy)benzene-1,2-dicarboxylate
CID 139783989

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate?
The IUPAC name of methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate (CID 90870872) is methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate.
What is the SMILES notation for methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate?
The canonical SMILES for methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate is COC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)c(C)c1CCO.
What is the InChIKey of methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate?
The InChIKey is GNGMNGQDPYKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-18-21(13-14-26)24(25(27)28-2)23(30-17-20-11-7-4-8-12-20)15-22(18)29-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16-17H2,1-2H3.
What are the key properties of methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate?
methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate has a molecular weight of 406.48 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethyl)-3-methyl-4,6-bis(phenylmethoxy)benzoate is sourced from PubChem (CID 90870872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).