[2,4-bis(phenylmethoxy)phenyl]methyl formate

C22H20O4 — CID 87851163

IUPAC[2,4-bis(phenylmethoxy)phenyl]methyl formate
SMILESO=COCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c23-17-24-16-20-11-12-21(25-14-18-7-3-1-4-8-18)13-22(20)26-15-19-9-5-2-6-10-19/h1-13,17H,14-16H2
InChIKeyRQSVZZTVQUWMHN-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.52
Rot. Bonds9

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

[2,4-bis(phenylmethoxy)phenyl]methyl formate (PubChem CID 87851163) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2,4-bis(phenylmethoxy)phenyl]methyl formate.

Molecular Properties

Compound Name[2,4-bis(phenylmethoxy)phenyl]methyl formate
PubChem CID87851163
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[2,4-bis(phenylmethoxy)phenyl]methyl formate
SMILESO=COCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c23-17-24-16-20-11-12-21(25-14-18-7-3-1-4-8-18)13-22(20)26-15-19-9-5-2-6-10-19/h1-13,17H,14-16H2
InChIKeyRQSVZZTVQUWMHN-UHFFFAOYSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 129255521
(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
CID 11732990
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 139322873

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(phenylmethoxy)phenyl]methyl formate?
The IUPAC name of [2,4-bis(phenylmethoxy)phenyl]methyl formate (CID 87851163) is [2,4-bis(phenylmethoxy)phenyl]methyl formate.
What is the SMILES notation for [2,4-bis(phenylmethoxy)phenyl]methyl formate?
The canonical SMILES for [2,4-bis(phenylmethoxy)phenyl]methyl formate is O=COCc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of [2,4-bis(phenylmethoxy)phenyl]methyl formate?
The InChIKey is RQSVZZTVQUWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c23-17-24-16-20-11-12-21(25-14-18-7-3-1-4-8-18)13-22(20)26-15-19-9-5-2-6-10-19/h1-13,17H,14-16H2.
What are the key properties of [2,4-bis(phenylmethoxy)phenyl]methyl formate?
[2,4-bis(phenylmethoxy)phenyl]methyl formate has a molecular weight of 348.40 g/mol, XLogP of 4.52, 9 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]methyl formate is sourced from PubChem (CID 87851163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).