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

C22H18Cl2O4 — CID 10126984

IUPAC2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
InChIKeyJDODANGOYUAOQT-UHFFFAOYSA-N
MW417.29 g/mol
LogP5.78
Rot. Bonds8

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

2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid (PubChem CID 10126984) has the molecular formula C22H18Cl2O4 and a molecular weight of 417.29 g/mol. Its IUPAC name is 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid
PubChem CID10126984
Molecular FormulaC22H18Cl2O4
Molecular Weight417.29 g/mol
Exact Mass416.06
IUPAC Name2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
InChIKeyJDODANGOYUAOQT-UHFFFAOYSA-N
XLogP5.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid (CID 10126984) is 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid?
The InChIKey is JDODANGOYUAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26).
What are the key properties of 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid?
2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid has a molecular weight of 417.29 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 10126984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).