methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate

C25H26O6 — CID 23146916

IUPACmethyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
SMILESCOCOc1cc(CC(=O)OC)c(-c2ccc(-c3ccccc3)cc2)c(OCOC)c1
InChIInChI=1S/C25H26O6/c1-27-16-30-22-13-21(14-24(26)29-3)25(23(15-22)31-17-28-2)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15H,14,16-17H2,1-3H3
InChIKeyJNBAROQJODNSMZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.70
Rot. Bonds10

About methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate

methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate (PubChem CID 23146916) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
PubChem CID23146916
Molecular FormulaC25H26O6
Molecular Weight422.48 g/mol
Exact Mass422.17
IUPAC Namemethyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
SMILESCOCOc1cc(CC(=O)OC)c(-c2ccc(-c3ccccc3)cc2)c(OCOC)c1
InChIInChI=1S/C25H26O6/c1-27-16-30-22-13-21(14-24(26)29-3)25(23(15-22)31-17-28-2)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15H,14,16-17H2,1-3H3
InChIKeyJNBAROQJODNSMZ-UHFFFAOYSA-N
XLogP4.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
CID 23147496
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(3-oxobutyl)phenyl]phenyl]acetate
CID 69024587
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-[(E)-3-oxobut-1-enyl]phenyl]phenyl]acetate
CID 23147189
2-[2-(3-formylphenyl)-3,5-bis(methoxymethoxy)phenyl]acetic acid
CID 91323434
2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
CID 23147060
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
CID 11230647
2-[2-(5-formylfuran-2-yl)-3,5-bis(methoxymethoxy)phenyl]acetic acid
CID 90814335
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
CID 23147478
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate
CID 23147556
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 23146935
4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
CID 10616703

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate (CID 23146916) is methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate is COCOc1cc(CC(=O)OC)c(-c2ccc(-c3ccccc3)cc2)c(OCOC)c1.
What is the InChIKey of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate?
The InChIKey is JNBAROQJODNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O6/c1-27-16-30-22-13-21(14-24(26)29-3)25(23(15-22)31-17-28-2)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15H,14,16-17H2,1-3H3.
What are the key properties of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate?
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate has a molecular weight of 422.48 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate is sourced from PubChem (CID 23146916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).