3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide

C16H15NO4 — CID 55631819

IUPAC3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
SMILESCOc1cc(C=O)ccc1OCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H15NO4/c1-20-15-8-11(9-18)5-6-14(15)21-10-12-3-2-4-13(7-12)16(17)19/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyRLXXQGLSGVABFE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.19
Rot. Bonds6

About 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide

3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide (PubChem CID 55631819) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
PubChem CID55631819
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
SMILESCOc1cc(C=O)ccc1OCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H15NO4/c1-20-15-8-11(9-18)5-6-14(15)21-10-12-3-2-4-13(7-12)16(17)19/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyRLXXQGLSGVABFE-UHFFFAOYSA-N
XLogP2.19
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.19
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

3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide (CID 55631819) is 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide is COc1cc(C=O)ccc1OCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide?
The InChIKey is RLXXQGLSGVABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-15-8-11(9-18)5-6-14(15)21-10-12-3-2-4-13(7-12)16(17)19/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide?
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 55631819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).