2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid

C8H10O3 — CID 54541683

IUPAC2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CC=CCC1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,4,7,9H,3,5H2,(H,10,11)
InChIKeyZDQLBXHJSIRLDP-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.71
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid

2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid (PubChem CID 54541683) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid
PubChem CID54541683
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CC=CCC1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,4,7,9H,3,5H2,(H,10,11)
InChIKeyZDQLBXHJSIRLDP-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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Related Compounds

3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate
CID 9543127
(4R)-3,4-dihydro-4-hydroxyphenylpyruvate
CID 86583387
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
CID 443290
2-(Cyclohex-1-en-1-yl)-2-hydroxyacetic acid
CID 12434582
(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid
CID 162875194
2-(Cyclopent-1-en-1-yl)-2-hydroxyacetic acid
CID 55302711
10,11-Dihydroxyoctadeca-6,8,12-trienoic acid
CID 6439106
3,4-Dihydro-mandelic acid
CID 18681235
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
CID 9543128
2-(5,5-Difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
CID 67423445
2-(3,6-Difluoro-6-methylcyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
CID 143237455
(3E)-3-ethenyl-5-fluoro-2-hydroxyhexa-3,5-dienoic acid
CID 156646698

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid (CID 54541683) is 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid is O=C(O)C(O)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid?
The InChIKey is ZDQLBXHJSIRLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,4,7,9H,3,5H2,(H,10,11).
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-2-hydroxyacetic acid?
2-cyclohexa-1,3-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-1,3-dien-1-yl-2-hydroxyacetic acid is sourced from PubChem (CID 54541683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).