2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid

C20H22O8 — CID 101351133

IUPAC2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
SMILESCOc1cc(C)c(-c2cc(OCC(=O)O)c(OC)cc2C)cc1OCC(=O)O
InChIInChI=1S/C20H22O8/c1-11-5-15(25-3)17(27-9-19(21)22)7-13(11)14-8-18(28-10-20(23)24)16(26-4)6-12(14)2/h5-8H,9-10H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCWCMRQNGNQMLDA-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.91
Rot. Bonds9

About 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid

2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid (PubChem CID 101351133) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
PubChem CID101351133
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
SMILESCOc1cc(C)c(-c2cc(OCC(=O)O)c(OC)cc2C)cc1OCC(=O)O
InChIInChI=1S/C20H22O8/c1-11-5-15(25-3)17(27-9-19(21)22)7-13(11)14-8-18(28-10-20(23)24)16(26-4)6-12(14)2/h5-8H,9-10H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCWCMRQNGNQMLDA-UHFFFAOYSA-N
XLogP2.91
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid?
The IUPAC name of 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid (CID 101351133) is 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid?
The canonical SMILES for 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid is COc1cc(C)c(-c2cc(OCC(=O)O)c(OC)cc2C)cc1OCC(=O)O.
What is the InChIKey of 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid?
The InChIKey is CWCMRQNGNQMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O8/c1-11-5-15(25-3)17(27-9-19(21)22)7-13(11)14-8-18(28-10-20(23)24)16(26-4)6-12(14)2/h5-8H,9-10H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid?
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid has a molecular weight of 390.39 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid is sourced from PubChem (CID 101351133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).