formic acid;methyl 4-methoxybenzoate

C10H12O5 — CID 159779883

IUPACformic acid;methyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1.O=CO
InChIInChI=1S/C9H10O3.CH2O2/c1-11-8-5-3-7(4-6-8)9(10)12-2;2-1-3/h3-6H,1-2H3;1H,(H,2,3)
InChIKeyNHFIHQHRUMWUCZ-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.18
Rot. Bonds2

About formic acid;methyl 4-methoxybenzoate

formic acid;methyl 4-methoxybenzoate (PubChem CID 159779883) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is formic acid;methyl 4-methoxybenzoate.

Molecular Properties

Compound Nameformic acid;methyl 4-methoxybenzoate
PubChem CID159779883
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameformic acid;methyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1.O=CO
InChIInChI=1S/C9H10O3.CH2O2/c1-11-8-5-3-7(4-6-8)9(10)12-2;2-1-3/h3-6H,1-2H3;1H,(H,2,3)
InChIKeyNHFIHQHRUMWUCZ-UHFFFAOYSA-N
XLogP1.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
CID 143113216
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
N-formyl-4-methoxybenzamide
CID 10856056
methyl 4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]benzoate
CID 132514950

Frequently Asked Questions

What is the IUPAC name of formic acid;methyl 4-methoxybenzoate?
The IUPAC name of formic acid;methyl 4-methoxybenzoate (CID 159779883) is formic acid;methyl 4-methoxybenzoate.
What is the SMILES notation for formic acid;methyl 4-methoxybenzoate?
The canonical SMILES for formic acid;methyl 4-methoxybenzoate is COC(=O)c1ccc(OC)cc1.O=CO.
What is the InChIKey of formic acid;methyl 4-methoxybenzoate?
The InChIKey is NHFIHQHRUMWUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH2O2/c1-11-8-5-3-7(4-6-8)9(10)12-2;2-1-3/h3-6H,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;methyl 4-methoxybenzoate?
formic acid;methyl 4-methoxybenzoate has a molecular weight of 212.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl 4-methoxybenzoate is sourced from PubChem (CID 159779883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).