methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate

C23H30O8 — CID 23147556

IUPACmethyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate
SMILESCCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1-c1cccc(OCOC)c1
InChIInChI=1S/C23H30O8/c1-6-19(23(24)28-5)20-11-18(30-14-26-3)12-21(31-15-27-4)22(20)16-8-7-9-17(10-16)29-13-25-2/h7-12,19H,6,13-15H2,1-5H3
InChIKeyBXFUUSDZQDMBDE-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.97
Rot. Bonds13

About methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate

methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate (PubChem CID 23147556) has the molecular formula C23H30O8 and a molecular weight of 434.49 g/mol. Its IUPAC name is methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate
PubChem CID23147556
Molecular FormulaC23H30O8
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Namemethyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate
SMILESCCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1-c1cccc(OCOC)c1
InChIInChI=1S/C23H30O8/c1-6-19(23(24)28-5)20-11-18(30-14-26-3)12-21(31-15-27-4)22(20)16-8-7-9-17(10-16)29-13-25-2/h7-12,19H,6,13-15H2,1-5H3
InChIKeyBXFUUSDZQDMBDE-UHFFFAOYSA-N
XLogP3.97
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
CID 23147060
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
CID 23146916
2-[2-(3-formylphenyl)-3,5-bis(methoxymethoxy)phenyl]acetic acid
CID 91323434
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
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
CID 23147496
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid
CID 53417363
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate?
The IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate (CID 23147556) is methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate.
What is the SMILES notation for methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate?
The canonical SMILES for methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate is CCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1-c1cccc(OCOC)c1.
What is the InChIKey of methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate?
The InChIKey is BXFUUSDZQDMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O8/c1-6-19(23(24)28-5)20-11-18(30-14-26-3)12-21(31-15-27-4)22(20)16-8-7-9-17(10-16)29-13-25-2/h7-12,19H,6,13-15H2,1-5H3.
What are the key properties of methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate?
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate has a molecular weight of 434.49 g/mol, XLogP of 3.97, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(methoxymethoxy)phenyl]phenyl]butanoate is sourced from PubChem (CID 23147556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).