6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

C7H8O3 — CID 10743959

IUPAC6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1O
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h1-6,8H,(H,9,10)
InChIKeyHOZMUKTWFARDEI-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds1

About 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 10743959) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID10743959
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1O
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h1-6,8H,(H,9,10)
InChIKeyHOZMUKTWFARDEI-UHFFFAOYSA-N
XLogP0.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-3-Hydroxyhex-4-enoic acid
CID 12740487
(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 9543121
(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
CID 440977
1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
CID 440414
(1S,6R)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
CID 3082341
2-Hydroxy-2-methylbenzoic acid
CID 21613087
(4E,6E)-3-hydroxydeca-4,6-dienoic acid
CID 91972205
o-Hydroxy salicylic acid
CID 17862778
2-Hydroxy salicylaldehyde
CID 22003147
Dihydrooxybenzoic acid
CID 44308128
ss-Propenylhydracrylsaure
CID 54147029
(1R,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 54208319

Frequently Asked Questions

What is the IUPAC name of 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CID 10743959) is 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=CC=CC1O.
What is the InChIKey of 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is HOZMUKTWFARDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h1-6,8H,(H,9,10).
What are the key properties of 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid?
6-hydroxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 10743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).