4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid

C24H22O7 — CID 11091125

IUPAC4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(OCC(=O)COc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C24H22O7/c1-28-20-6-2-17(3-7-20)14-29-22-10-12-23(13-11-22)31-16-19(25)15-30-21-8-4-18(5-9-21)24(26)27/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeySVVRPEKROGKSSZ-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.00
Rot. Bonds11

About 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid

4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid (PubChem CID 11091125) has the molecular formula C24H22O7 and a molecular weight of 422.43 g/mol. Its IUPAC name is 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid
PubChem CID11091125
Molecular FormulaC24H22O7
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(OCC(=O)COc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C24H22O7/c1-28-20-6-2-17(3-7-20)14-29-22-10-12-23(13-11-22)31-16-19(25)15-30-21-8-4-18(5-9-21)24(26)27/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeySVVRPEKROGKSSZ-UHFFFAOYSA-N
XLogP4.00
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid?
The IUPAC name of 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid (CID 11091125) is 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid.
What is the SMILES notation for 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid?
The canonical SMILES for 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid is COc1ccc(COc2ccc(OCC(=O)COc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid?
The InChIKey is SVVRPEKROGKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O7/c1-28-20-6-2-17(3-7-20)14-29-22-10-12-23(13-11-22)31-16-19(25)15-30-21-8-4-18(5-9-21)24(26)27/h2-13H,14-16H2,1H3,(H,26,27).
What are the key properties of 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid?
4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid has a molecular weight of 422.43 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-methoxyphenyl)methoxy]phenoxy]-2-oxopropoxy]benzoic acid is sourced from PubChem (CID 11091125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).