methyl 3-formyloxy-5-methylbenzoate

C10H10O4 — CID 170179005

IUPACmethyl 3-formyloxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(OC=O)c1
InChIInChI=1S/C10H10O4/c1-7-3-8(10(12)13-2)5-9(4-7)14-6-11/h3-6H,1-2H3
InChIKeyZIJHSECMQVMPBS-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.32
Rot. Bonds3

About methyl 3-formyloxy-5-methylbenzoate

methyl 3-formyloxy-5-methylbenzoate (PubChem CID 170179005) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 3-formyloxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-formyloxy-5-methylbenzoate
PubChem CID170179005
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 3-formyloxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(OC=O)c1
InChIInChI=1S/C10H10O4/c1-7-3-8(10(12)13-2)5-9(4-7)14-6-11/h3-6H,1-2H3
InChIKeyZIJHSECMQVMPBS-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-ethenoxybenzene-1,3-dicarboxylate
CID 130409792
3-methoxycarbonyl-5-methylbenzoic acid
CID 7210836
methyl 3-formyl-5-methylbenzoate
CID 58369548
3-(3,5-diformyloxyphenyl)-5-methylbenzoic acid;3-formyloxy-5-methylbenzoic acid
CID 159615570
[3-(hydroxymethyl)-5-methylphenyl] formate
CID 89472266
methyl 3-(1-aminopropan-2-yloxy)-5-methylbenzoate
CID 135226502
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
methyl 4-formamido-3,5-dimethylbenzoate
CID 134546996
methyl 3-formyloxy-5-[6-(3-formyloxy-5-methoxycarbonylphenyl)benzo[b]phenazin-11-yl]benzoate
CID 166920690
CID 89125580
CID 89125580

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyloxy-5-methylbenzoate?
The IUPAC name of methyl 3-formyloxy-5-methylbenzoate (CID 170179005) is methyl 3-formyloxy-5-methylbenzoate.
What is the SMILES notation for methyl 3-formyloxy-5-methylbenzoate?
The canonical SMILES for methyl 3-formyloxy-5-methylbenzoate is COC(=O)c1cc(C)cc(OC=O)c1.
What is the InChIKey of methyl 3-formyloxy-5-methylbenzoate?
The InChIKey is ZIJHSECMQVMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7-3-8(10(12)13-2)5-9(4-7)14-6-11/h3-6H,1-2H3.
What are the key properties of methyl 3-formyloxy-5-methylbenzoate?
methyl 3-formyloxy-5-methylbenzoate has a molecular weight of 194.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyloxy-5-methylbenzoate is sourced from PubChem (CID 170179005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).