(5-formyl-2-methoxyphenyl)methyl benzoate

C16H14O4 — CID 11558087

IUPAC(5-formyl-2-methoxyphenyl)methyl benzoate
SMILESCOc1ccc(C=O)cc1COC(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-15-8-7-12(10-17)9-14(15)11-20-16(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyFVGGPKDGINFMIZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.86
Rot. Bonds5

About (5-formyl-2-methoxyphenyl)methyl benzoate

(5-formyl-2-methoxyphenyl)methyl benzoate (PubChem CID 11558087) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (5-formyl-2-methoxyphenyl)methyl benzoate.

Molecular Properties

Compound Name(5-formyl-2-methoxyphenyl)methyl benzoate
PubChem CID11558087
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(5-formyl-2-methoxyphenyl)methyl benzoate
SMILESCOc1ccc(C=O)cc1COC(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-15-8-7-12(10-17)9-14(15)11-20-16(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyFVGGPKDGINFMIZ-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.86
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

2-methylpropyl 4-[(5-formyl-2-methoxyphenyl)methoxy]benzoate
CID 50742455
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
CID 163997581
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
[2,3,4,5,6-pentakis[(4-formylbenzoyl)oxymethyl]phenyl]methyl 3-formylbenzoate
CID 138981671
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
3-[4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 4195976

Frequently Asked Questions

What is the IUPAC name of (5-formyl-2-methoxyphenyl)methyl benzoate?
The IUPAC name of (5-formyl-2-methoxyphenyl)methyl benzoate (CID 11558087) is (5-formyl-2-methoxyphenyl)methyl benzoate.
What is the SMILES notation for (5-formyl-2-methoxyphenyl)methyl benzoate?
The canonical SMILES for (5-formyl-2-methoxyphenyl)methyl benzoate is COc1ccc(C=O)cc1COC(=O)c1ccccc1.
What is the InChIKey of (5-formyl-2-methoxyphenyl)methyl benzoate?
The InChIKey is FVGGPKDGINFMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-15-8-7-12(10-17)9-14(15)11-20-16(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of (5-formyl-2-methoxyphenyl)methyl benzoate?
(5-formyl-2-methoxyphenyl)methyl benzoate has a molecular weight of 270.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-2-methoxyphenyl)methyl benzoate is sourced from PubChem (CID 11558087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).