formaldehyde;(4-methylphenyl) benzoate

C15H14O3 — CID 143467602

IUPACformaldehyde;(4-methylphenyl) benzoate
SMILESC=O.Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2.CH2O/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12;1-2/h2-10H,1H3;1H2
InChIKeyIDRGTVHULHFFLI-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.03
Rot. Bonds2

About formaldehyde;(4-methylphenyl) benzoate

formaldehyde;(4-methylphenyl) benzoate (PubChem CID 143467602) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is formaldehyde;(4-methylphenyl) benzoate.

Molecular Properties

Compound Nameformaldehyde;(4-methylphenyl) benzoate
PubChem CID143467602
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Nameformaldehyde;(4-methylphenyl) benzoate
SMILESC=O.Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2.CH2O/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12;1-2/h2-10H,1H3;1H2
InChIKeyIDRGTVHULHFFLI-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(5-methylpyrimidin-2-yl)phenyl] benzoate
CID 170244609
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-[2-(4-benzoyloxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 4-methylbenzoate
CID 158568545
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916

Frequently Asked Questions

What is the IUPAC name of formaldehyde;(4-methylphenyl) benzoate?
The IUPAC name of formaldehyde;(4-methylphenyl) benzoate (CID 143467602) is formaldehyde;(4-methylphenyl) benzoate.
What is the SMILES notation for formaldehyde;(4-methylphenyl) benzoate?
The canonical SMILES for formaldehyde;(4-methylphenyl) benzoate is C=O.Cc1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of formaldehyde;(4-methylphenyl) benzoate?
The InChIKey is IDRGTVHULHFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.CH2O/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12;1-2/h2-10H,1H3;1H2.
What are the key properties of formaldehyde;(4-methylphenyl) benzoate?
formaldehyde;(4-methylphenyl) benzoate has a molecular weight of 242.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(4-methylphenyl) benzoate is sourced from PubChem (CID 143467602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).