(4-formyl-2-phenylmethoxyphenyl) acetate

C16H14O4 — CID 71357562

IUPAC(4-formyl-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C16H14O4/c1-12(18)20-15-8-7-14(10-17)9-16(15)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMOWVLHDNOVZGGH-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.00
Rot. Bonds5

About (4-formyl-2-phenylmethoxyphenyl) acetate

(4-formyl-2-phenylmethoxyphenyl) acetate (PubChem CID 71357562) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (4-formyl-2-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(4-formyl-2-phenylmethoxyphenyl) acetate
PubChem CID71357562
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(4-formyl-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C16H14O4/c1-12(18)20-15-8-7-14(10-17)9-16(15)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMOWVLHDNOVZGGH-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3,4-dimethoxybenzaldehyde;3,5-dimethoxybenzaldehyde;(4-formyl-2-methoxyphenyl) acetate;3-methoxybenzaldehyde;3-methoxy-4-phenylmethoxybenzaldehyde;3-phenylmethoxybenzaldehyde;3,4,5-trimethoxybenzaldehyde
CID 159819043
2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
CID 21051383
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
CID 22716790
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-phenylmethoxyphenyl) acetate?
The IUPAC name of (4-formyl-2-phenylmethoxyphenyl) acetate (CID 71357562) is (4-formyl-2-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (4-formyl-2-phenylmethoxyphenyl) acetate?
The canonical SMILES for (4-formyl-2-phenylmethoxyphenyl) acetate is CC(=O)Oc1ccc(C=O)cc1OCc1ccccc1.
What is the InChIKey of (4-formyl-2-phenylmethoxyphenyl) acetate?
The InChIKey is MOWVLHDNOVZGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-12(18)20-15-8-7-14(10-17)9-16(15)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of (4-formyl-2-phenylmethoxyphenyl) acetate?
(4-formyl-2-phenylmethoxyphenyl) acetate has a molecular weight of 270.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 71357562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).