(4-formylphenyl) 2-(4-methoxyphenyl)acetate

C16H14O4 — CID 39199740

IUPAC(4-formylphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-6-2-12(3-7-14)10-16(18)20-15-8-4-13(11-17)5-9-15/h2-9,11H,10H2,1H3
InChIKeyOAIDNFPZYHEIOC-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.66
Rot. Bonds5

About (4-formylphenyl) 2-(4-methoxyphenyl)acetate

(4-formylphenyl) 2-(4-methoxyphenyl)acetate (PubChem CID 39199740) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (4-formylphenyl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-formylphenyl) 2-(4-methoxyphenyl)acetate
PubChem CID39199740
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(4-formylphenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-6-2-12(3-7-14)10-16(18)20-15-8-4-13(11-17)5-9-15/h2-9,11H,10H2,1H3
InChIKeyOAIDNFPZYHEIOC-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (4-formylphenyl) 2-(4-methoxyphenyl)acetate (CID 39199740) is (4-formylphenyl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (4-formylphenyl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (4-formylphenyl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of (4-formylphenyl) 2-(4-methoxyphenyl)acetate?
The InChIKey is OAIDNFPZYHEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-14-6-2-12(3-7-14)10-16(18)20-15-8-4-13(11-17)5-9-15/h2-9,11H,10H2,1H3.
What are the key properties of (4-formylphenyl) 2-(4-methoxyphenyl)acetate?
(4-formylphenyl) 2-(4-methoxyphenyl)acetate has a molecular weight of 270.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 39199740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).