1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid

C14H12O8 — CID 139715001

IUPAC1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C(C(=O)O)(c2ccccc2)C1C(=O)O
InChIInChI=1S/C14H12O8/c15-10(16)7-8(11(17)18)14(13(21)22,9(7)12(19)20)6-4-2-1-3-5-6/h1-5,7-9H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyLWYOOCABVRDGHY-UHFFFAOYSA-N
MW308.24 g/mol
LogP0.12
Rot. Bonds5

About 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid

1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid (PubChem CID 139715001) has the molecular formula C14H12O8 and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid
PubChem CID139715001
Molecular FormulaC14H12O8
Molecular Weight308.24 g/mol
Exact Mass308.05
IUPAC Name1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C(C(=O)O)(c2ccccc2)C1C(=O)O
InChIInChI=1S/C14H12O8/c15-10(16)7-8(11(17)18)14(13(21)22,9(7)12(19)20)6-4-2-1-3-5-6/h1-5,7-9H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyLWYOOCABVRDGHY-UHFFFAOYSA-N
XLogP0.12
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-phenylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
CID 135362082
(2S,3S,5S,6R)-1-phenylbicyclo[2.2.2]octane-2,3,5,6-tetracarboxylic acid
CID 7918753
(2R,3R,5R,6S)-1-phenylbicyclo[2.2.2]octane-2,3,5,6-tetracarboxylic acid
CID 125115620
1-(3,4-dicarboxy-1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1,2,3,4-tetracarboxylic acid
CID 91389941
(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid
CID 86339150
(1S,5R,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 129353718
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
2-phenylimidazole-2-carboxylic acid
CID 23037034
3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 142007769
(2R,3S,5R,6R)-1,4-diphenyl-7-azoniabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 9499880
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276

Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid (CID 139715001) is 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid is O=C(O)C1C(C(=O)O)C(C(=O)O)(c2ccccc2)C1C(=O)O.
What is the InChIKey of 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid?
The InChIKey is LWYOOCABVRDGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O8/c15-10(16)7-8(11(17)18)14(13(21)22,9(7)12(19)20)6-4-2-1-3-5-6/h1-5,7-9H,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid?
1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid has a molecular weight of 308.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 139715001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).