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

C20H20O6 — CID 174941478

IUPAC1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)CC1(C(=O)O)c1ccccc1OC
InChIInChI=1S/C20H20O6/c1-25-15-9-5-3-7-12(15)17-13(18(21)22)11-20(17,19(23)24)14-8-4-6-10-16(14)26-2/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYELSTFFSAOFIEM-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.91
Rot. Bonds6

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

1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid (PubChem CID 174941478) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
PubChem CID174941478
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)CC1(C(=O)O)c1ccccc1OC
InChIInChI=1S/C20H20O6/c1-25-15-9-5-3-7-12(15)17-13(18(21)22)11-20(17,19(23)24)14-8-4-6-10-16(14)26-2/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYELSTFFSAOFIEM-UHFFFAOYSA-N
XLogP2.91
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013802
1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 66351408
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971
pentacyclo[9.6.0.01,4.05,10.012,17]heptadeca-5,7,9,12,14,16-hexaene-3-carboxylic acid
CID 148621381

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The IUPAC name of 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid (CID 174941478) is 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid.
What is the SMILES notation for 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The canonical SMILES for 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid is COc1ccccc1C1C(C(=O)O)CC1(C(=O)O)c1ccccc1OC.
What is the InChIKey of 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
The InChIKey is YELSTFFSAOFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-25-15-9-5-3-7-12(15)17-13(18(21)22)11-20(17,19(23)24)14-8-4-6-10-16(14)26-2/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid?
1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid has a molecular weight of 356.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid is sourced from PubChem (CID 174941478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).