2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid

C20H24O6 — CID 23147060

IUPAC2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
SMILESCCC(C(=O)O)c1cc(OCOC)cc(OCOC)c1-c1ccccc1
InChIInChI=1S/C20H24O6/c1-4-16(20(21)22)17-10-15(25-12-23-2)11-18(26-13-24-3)19(17)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyLVIMWESQVMIOTR-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.90
Rot. Bonds10

About 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid

2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid (PubChem CID 23147060) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid.

Molecular Properties

Compound Name2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
PubChem CID23147060
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
SMILESCCC(C(=O)O)c1cc(OCOC)cc(OCOC)c1-c1ccccc1
InChIInChI=1S/C20H24O6/c1-4-16(20(21)22)17-10-15(25-12-23-2)11-18(26-13-24-3)19(17)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyLVIMWESQVMIOTR-UHFFFAOYSA-N
XLogP3.90
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(methoxymethoxy)phenyl]phenyl]butanoate
CID 23147556
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-(4-methoxyphenyl)phenyl]acetate
CID 23147496
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
CID 23147311
2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
CID 72942498
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(3-oxobutyl)phenyl]phenyl]acetate
CID 69024587
[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
CID 70288706
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
CID 23147478

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid?
The IUPAC name of 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid (CID 23147060) is 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid.
What is the SMILES notation for 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid?
The canonical SMILES for 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid is CCC(C(=O)O)c1cc(OCOC)cc(OCOC)c1-c1ccccc1.
What is the InChIKey of 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid?
The InChIKey is LVIMWESQVMIOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-4-16(20(21)22)17-10-15(25-12-23-2)11-18(26-13-24-3)19(17)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid?
2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid has a molecular weight of 360.41 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid is sourced from PubChem (CID 23147060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).