2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid

C8H10O3 — CID 18681235

IUPAC2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CCCC=C1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3H2,(H,10,11)
InChIKeyKAGNTKQKKPKIFH-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.71
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid

2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid (PubChem CID 18681235) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
PubChem CID18681235
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CCCC=C1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3H2,(H,10,11)
InChIKeyKAGNTKQKKPKIFH-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid (CID 18681235) is 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid is O=C(O)C(O)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The InChIKey is KAGNTKQKKPKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3H2,(H,10,11).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid has a molecular weight of 154.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid is sourced from PubChem (CID 18681235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).