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

C20H24O7 — CID 23147496

IUPACmethyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
SMILESCOCOc1cc(CC(=O)OC)c(-c2ccc(OC)cc2)c(OCOC)c1
InChIInChI=1S/C20H24O7/c1-22-12-26-17-9-15(10-19(21)25-4)20(18(11-17)27-13-23-2)14-5-7-16(24-3)8-6-14/h5-9,11H,10,12-13H2,1-4H3
InChIKeySSHCPTITZJGLJB-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.04
Rot. Bonds10

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

methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate (PubChem CID 23147496) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
PubChem CID23147496
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
SMILESCOCOc1cc(CC(=O)OC)c(-c2ccc(OC)cc2)c(OCOC)c1
InChIInChI=1S/C20H24O7/c1-22-12-26-17-9-15(10-19(21)25-4)20(18(11-17)27-13-23-2)14-5-7-16(24-3)8-6-14/h5-9,11H,10,12-13H2,1-4H3
InChIKeySSHCPTITZJGLJB-UHFFFAOYSA-N
XLogP3.04
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-phenylphenyl)phenyl]acetate
CID 23146916
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
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
methyl 2-[2-iodo-6-(4-methoxybenzoyl)-3,5-bis(methoxymethoxy)phenyl]acetate
CID 86610529
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
2-[2-(5-formylfuran-2-yl)-3,5-bis(methoxymethoxy)phenyl]acetic acid
CID 90814335
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
2-[3,5-bis(methoxymethoxy)-2-phenylphenyl]butanoic acid
CID 23147060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate (CID 23147496) is methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate is COCOc1cc(CC(=O)OC)c(-c2ccc(OC)cc2)c(OCOC)c1.
What is the InChIKey of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate?
The InChIKey is SSHCPTITZJGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O7/c1-22-12-26-17-9-15(10-19(21)25-4)20(18(11-17)27-13-23-2)14-5-7-16(24-3)8-6-14/h5-9,11H,10,12-13H2,1-4H3.
What are the key properties of methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate?
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate has a molecular weight of 376.41 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate is sourced from PubChem (CID 23147496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).