methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate

C21H26O5 — CID 161420499

IUPACmethyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
SMILESCOC(=O)c1c(C)cc(C)cc1C.COC(=O)c1c(C)cc(C)cc1O
InChIInChI=1S/C11H14O2.C10H12O3/c1-7-5-8(2)10(9(3)6-7)11(12)13-4;1-6-4-7(2)9(8(11)5-6)10(12)13-3/h5-6H,1-4H3;4-5,11H,1-3H3
InChIKeyVWQXZVKXSPXJRO-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.19
Rot. Bonds2

About methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate

methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate (PubChem CID 161420499) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
PubChem CID161420499
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Namemethyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
SMILESCOC(=O)c1c(C)cc(C)cc1C.COC(=O)c1c(C)cc(C)cc1O
InChIInChI=1S/C11H14O2.C10H12O3/c1-7-5-8(2)10(9(3)6-7)11(12)13-4;1-6-4-7(2)9(8(11)5-6)10(12)13-3/h5-6H,1-4H3;4-5,11H,1-3H3
InChIKeyVWQXZVKXSPXJRO-UHFFFAOYSA-N
XLogP4.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
methyl 2-cyano-6-hydroxy-4-methylbenzoate
CID 130822835
(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2,4-dihydroxy-3,6-dimethylbenzoate
CID 10593660
[3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2,4-dihydroxy-6-methylbenzoate
CID 10096758
methyl 2-[chloro(difluoro)methyl]-6-hydroxy-4-methylbenzoate
CID 102451422
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
CID 102035731
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
methyl 3-bromo-2,4-dihydroxy-6-methylbenzoate
CID 10858235
methyl 2,6-diamino-4-methylbenzoate
CID 57005581

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate?
The IUPAC name of methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate (CID 161420499) is methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate?
The canonical SMILES for methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate is COC(=O)c1c(C)cc(C)cc1C.COC(=O)c1c(C)cc(C)cc1O.
What is the InChIKey of methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate?
The InChIKey is VWQXZVKXSPXJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H12O3/c1-7-5-8(2)10(9(3)6-7)11(12)13-4;1-6-4-7(2)9(8(11)5-6)10(12)13-3/h5-6H,1-4H3;4-5,11H,1-3H3.
What are the key properties of methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate?
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate has a molecular weight of 358.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate is sourced from PubChem (CID 161420499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).