methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate

C18H18O6 — CID 54129750

IUPACmethyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(OCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O6/c1-21-14-7-9-16(10-8-14)24-12-11-23-15-5-3-13(4-6-15)17(19)18(20)22-2/h3-10H,11-12H2,1-2H3
InChIKeyNTNBMFLPNFLJSI-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.51
Rot. Bonds8

About methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate

methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate (PubChem CID 54129750) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
PubChem CID54129750
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namemethyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(OCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O6/c1-21-14-7-9-16(10-8-14)24-12-11-23-15-5-3-13(4-6-15)17(19)18(20)22-2/h3-10H,11-12H2,1-2H3
InChIKeyNTNBMFLPNFLJSI-UHFFFAOYSA-N
XLogP2.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate
CID 59775759
ethane;methane;methyl 2-[4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-oxoacetate
CID 161327572
methyl 2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxoacetate
CID 54406942
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
4-methoxy-N-(2-phenoxyethoxy)benzamide
CID 110294662
methyl 2-[4-[[4-(2-methoxy-2-oxoacetyl)phenyl]methyl]phenyl]-2-oxoacetate
CID 59775753
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
methyl 2-[4-[2-[4-(2-methylperoxyethoxy)phenyl]-2-oxoacetyl]phenoxy]acetate
CID 88589637
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate (CID 54129750) is methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate is COC(=O)C(=O)c1ccc(OCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate?
The InChIKey is NTNBMFLPNFLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-21-14-7-9-16(10-8-14)24-12-11-23-15-5-3-13(4-6-15)17(19)18(20)22-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate?
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate has a molecular weight of 330.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate is sourced from PubChem (CID 54129750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).