2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid

C23H20Cl2O5 — CID 22258075

IUPAC2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
InChIKeyCWACAJRSVNPLPE-UHFFFAOYSA-N
MW447.31 g/mol
LogP5.92
Rot. Bonds9

About 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid

2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid (PubChem CID 22258075) has the molecular formula C23H20Cl2O5 and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid
PubChem CID22258075
Molecular FormulaC23H20Cl2O5
Molecular Weight447.31 g/mol
Exact Mass446.07
IUPAC Name2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
InChIKeyCWACAJRSVNPLPE-UHFFFAOYSA-N
XLogP5.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid (CID 22258075) is 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid is COC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid?
The InChIKey is CWACAJRSVNPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid?
2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid has a molecular weight of 447.31 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid is sourced from PubChem (CID 22258075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).