methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate

C18H18O6 — CID 71009047

IUPACmethyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate
SMILESCOC(=O)COc1c(Oc2cccc(C)c2)cccc1C(=O)OC
InChIInChI=1S/C18H18O6/c1-12-6-4-7-13(10-12)24-15-9-5-8-14(18(20)22-3)17(15)23-11-16(19)21-2/h4-10H,11H2,1-3H3
InChIKeyQQKPVNBVMNHMSS-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate

methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate (PubChem CID 71009047) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate
PubChem CID71009047
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namemethyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate
SMILESCOC(=O)COc1c(Oc2cccc(C)c2)cccc1C(=O)OC
InChIInChI=1S/C18H18O6/c1-12-6-4-7-13(10-12)24-15-9-5-8-14(18(20)22-3)17(15)23-11-16(19)21-2/h4-10H,11H2,1-3H3
InChIKeyQQKPVNBVMNHMSS-UHFFFAOYSA-N
XLogP3.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-bromo-3-methyl-4-(3-methylphenoxy)benzoate
CID 169220245
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2-(3-methylphenoxy)benzamide
CID 70968841
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2,3-bis(3-methylphenoxy)phenol
CID 139940679
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
methyl 3-amino-2-(3,5-dimethylphenoxy)benzoate
CID 115935607
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
methyl 2-methyl-3-[[1-methyl-6-(3-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68970988

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate (CID 71009047) is methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate is COC(=O)COc1c(Oc2cccc(C)c2)cccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate?
The InChIKey is QQKPVNBVMNHMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-12-6-4-7-13(10-12)24-15-9-5-8-14(18(20)22-3)17(15)23-11-16(19)21-2/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate?
methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate has a molecular weight of 330.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethoxy)-3-(3-methylphenoxy)benzoate is sourced from PubChem (CID 71009047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).