[2,4-bis(phenylmethoxy)phenyl] acetate

C22H20O4 — CID 57281184

IUPAC[2,4-bis(phenylmethoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-17(23)26-21-13-12-20(24-15-18-8-4-2-5-9-18)14-22(21)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeyTYYPEWPDDZBEBK-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.77
Rot. Bonds7

About [2,4-bis(phenylmethoxy)phenyl] acetate

[2,4-bis(phenylmethoxy)phenyl] acetate (PubChem CID 57281184) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2,4-bis(phenylmethoxy)phenyl] acetate.

Molecular Properties

Compound Name[2,4-bis(phenylmethoxy)phenyl] acetate
PubChem CID57281184
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[2,4-bis(phenylmethoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-17(23)26-21-13-12-20(24-15-18-8-4-2-5-9-18)14-22(21)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeyTYYPEWPDDZBEBK-UHFFFAOYSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.77
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

2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate
CID 123744890
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(phenylmethoxy)phenyl] acetate?
The IUPAC name of [2,4-bis(phenylmethoxy)phenyl] acetate (CID 57281184) is [2,4-bis(phenylmethoxy)phenyl] acetate.
What is the SMILES notation for [2,4-bis(phenylmethoxy)phenyl] acetate?
The canonical SMILES for [2,4-bis(phenylmethoxy)phenyl] acetate is CC(=O)Oc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of [2,4-bis(phenylmethoxy)phenyl] acetate?
The InChIKey is TYYPEWPDDZBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-17(23)26-21-13-12-20(24-15-18-8-4-2-5-9-18)14-22(21)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3.
What are the key properties of [2,4-bis(phenylmethoxy)phenyl] acetate?
[2,4-bis(phenylmethoxy)phenyl] acetate has a molecular weight of 348.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(phenylmethoxy)phenyl] acetate is sourced from PubChem (CID 57281184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).