(3-methoxy-4-phenylmethoxyphenyl) acetate

C16H16O4 — CID 57146264

IUPAC(3-methoxy-4-phenylmethoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-12(17)20-14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyQDUQGGVIDBIWIA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.20
Rot. Bonds5

About (3-methoxy-4-phenylmethoxyphenyl) acetate

(3-methoxy-4-phenylmethoxyphenyl) acetate (PubChem CID 57146264) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3-methoxy-4-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(3-methoxy-4-phenylmethoxyphenyl) acetate
PubChem CID57146264
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(3-methoxy-4-phenylmethoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-12(17)20-14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyQDUQGGVIDBIWIA-UHFFFAOYSA-N
XLogP3.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
(3,4-dimethoxyphenyl) acetate
CID 593001
3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-phenylmethoxyphenyl) acetate?
The IUPAC name of (3-methoxy-4-phenylmethoxyphenyl) acetate (CID 57146264) is (3-methoxy-4-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (3-methoxy-4-phenylmethoxyphenyl) acetate?
The canonical SMILES for (3-methoxy-4-phenylmethoxyphenyl) acetate is COc1cc(OC(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of (3-methoxy-4-phenylmethoxyphenyl) acetate?
The InChIKey is QDUQGGVIDBIWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-12(17)20-14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of (3-methoxy-4-phenylmethoxyphenyl) acetate?
(3-methoxy-4-phenylmethoxyphenyl) acetate has a molecular weight of 272.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 57146264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).