methanol;methyl 4-methylbenzoate;toluene

C17H22O3 — CID 142226695

IUPACmethanol;methyl 4-methylbenzoate;toluene
SMILESCO.COC(=O)c1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C9H10O2.C7H8.CH4O/c1-7-3-5-8(6-4-7)9(10)11-2;1-7-5-3-2-4-6-7;1-2/h3-6H,1-2H3;2-6H,1H3;2H,1H3
InChIKeyNRWHEIJAFZRYQI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.39
Rot. Bonds1

About methanol;methyl 4-methylbenzoate;toluene

methanol;methyl 4-methylbenzoate;toluene (PubChem CID 142226695) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is methanol;methyl 4-methylbenzoate;toluene.

Molecular Properties

Compound Namemethanol;methyl 4-methylbenzoate;toluene
PubChem CID142226695
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Namemethanol;methyl 4-methylbenzoate;toluene
SMILESCO.COC(=O)c1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C9H10O2.C7H8.CH4O/c1-7-3-5-8(6-4-7)9(10)11-2;1-7-5-3-2-4-6-7;1-2/h3-6H,1-2H3;2-6H,1H3;2H,1H3
InChIKeyNRWHEIJAFZRYQI-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
(4-methoxycarbonylphenyl)-(4-methylphenyl)-phenylsulfanium
CID 164747030
methyl benzoate;sulfuryl dichloride;toluene
CID 162034075
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
ethane;methoxymethane;methyl benzoate
CID 90999424
N-ethylethanamine;methyl 4-methylbenzoate
CID 18508179
hexane;methyl 4-methylbenzoate
CID 143689226

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 4-methylbenzoate;toluene?
The IUPAC name of methanol;methyl 4-methylbenzoate;toluene (CID 142226695) is methanol;methyl 4-methylbenzoate;toluene.
What is the SMILES notation for methanol;methyl 4-methylbenzoate;toluene?
The canonical SMILES for methanol;methyl 4-methylbenzoate;toluene is CO.COC(=O)c1ccc(C)cc1.Cc1ccccc1.
What is the InChIKey of methanol;methyl 4-methylbenzoate;toluene?
The InChIKey is NRWHEIJAFZRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C7H8.CH4O/c1-7-3-5-8(6-4-7)9(10)11-2;1-7-5-3-2-4-6-7;1-2/h3-6H,1-2H3;2-6H,1H3;2H,1H3.
What are the key properties of methanol;methyl 4-methylbenzoate;toluene?
methanol;methyl 4-methylbenzoate;toluene has a molecular weight of 274.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 4-methylbenzoate;toluene is sourced from PubChem (CID 142226695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).