4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid

C13H14O4 — CID 59345361

IUPAC4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1CC=C(OC2=CC=CCC2)C=C1O
InChIInChI=1S/C13H14O4/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-2,4,6,8,11,14H,3,5,7H2,(H,15,16)
InChIKeyQEPLNJMKOLKHBR-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.67
Rot. Bonds3

About 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid

4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 59345361) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID59345361
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1CC=C(OC2=CC=CCC2)C=C1O
InChIInChI=1S/C13H14O4/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-2,4,6,8,11,14H,3,5,7H2,(H,15,16)
InChIKeyQEPLNJMKOLKHBR-UHFFFAOYSA-N
XLogP2.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CID 59345361) is 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1CC=C(OC2=CC=CCC2)C=C1O.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is QEPLNJMKOLKHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-2,4,6,8,11,14H,3,5,7H2,(H,15,16).
What are the key properties of 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yloxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 59345361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).