(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid

C8H10O3 — CID 57236627

IUPAC(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)[C@H](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)/t7-/m1/s1
InChIKeyKAGNTKQKKPKIFH-SSDOTTSWSA-N
MW154.16 g/mol
LogP0.71
Rot. Bonds2

About (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid

(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid (PubChem CID 57236627) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
PubChem CID57236627
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)[C@H](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)/t7-/m1/s1
InChIKeyKAGNTKQKKPKIFH-SSDOTTSWSA-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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Related Compounds

(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 9543121
(4R)-3,4-dihydro-4-hydroxyphenylpyruvate
CID 86583387
(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
CID 440977
(1R,6S)-1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate
CID 9543078
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate
CID 9543091
1,6-Dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate
CID 21145165
1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
CID 440414
1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 441156
(1S,6R)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
CID 3082341
1,2-Dihydroxycyclohexa-3,5-diene-1,4-dicarboxylic acid
CID 5245213
3,4-Dihydro-mandelic acid
CID 18681235
(1R,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 54208319

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid (CID 57236627) is (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid is O=C(O)[C@H](O)C1=CCCC=C1.
What is the InChIKey of (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
The InChIKey is KAGNTKQKKPKIFH-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid?
(2R)-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 (2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid is sourced from PubChem (CID 57236627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).