2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid

C20H20O8 — CID 11429153

IUPAC2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
SMILESCOc1cc(C2C(C(=O)O)C(c3ccc(O)c(OC)c3)C2C(=O)O)ccc1O
InChIInChI=1S/C20H20O8/c1-27-13-7-9(3-5-11(13)21)15-17(19(23)24)16(18(15)20(25)26)10-4-6-12(22)14(8-10)28-2/h3-8,15-18,21-22H,1-2H3,(H,23,24)(H,25,26)
InChIKeyUHCWQMZMXZKYAU-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.40
Rot. Bonds6

About 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid

2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid (PubChem CID 11429153) has the molecular formula C20H20O8 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
PubChem CID11429153
Molecular FormulaC20H20O8
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
SMILESCOc1cc(C2C(C(=O)O)C(c3ccc(O)c(OC)c3)C2C(=O)O)ccc1O
InChIInChI=1S/C20H20O8/c1-27-13-7-9(3-5-11(13)21)15-17(19(23)24)16(18(15)20(25)26)10-4-6-12(22)14(8-10)28-2/h3-8,15-18,21-22H,1-2H3,(H,23,24)(H,25,26)
InChIKeyUHCWQMZMXZKYAU-UHFFFAOYSA-N
XLogP2.40
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The IUPAC name of 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid (CID 11429153) is 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid.
What is the SMILES notation for 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The canonical SMILES for 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid is COc1cc(C2C(C(=O)O)C(c3ccc(O)c(OC)c3)C2C(=O)O)ccc1O.
What is the InChIKey of 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The InChIKey is UHCWQMZMXZKYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O8/c1-27-13-7-9(3-5-11(13)21)15-17(19(23)24)16(18(15)20(25)26)10-4-6-12(22)14(8-10)28-2/h3-8,15-18,21-22H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid has a molecular weight of 388.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid is sourced from PubChem (CID 11429153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).