6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid

C8H10O4 — CID 139752041

IUPAC6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESCOC1(C(=O)O)C=CC=CC1O
InChIInChI=1S/C8H10O4/c1-12-8(7(10)11)5-3-2-4-6(8)9/h2-6,9H,1H3,(H,10,11)
InChIKeyKOUFOMHAPSUKFC-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.06
Rot. Bonds2

About 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid

6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 139752041) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID139752041
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESCOC1(C(=O)O)C=CC=CC1O
InChIInChI=1S/C8H10O4/c1-12-8(7(10)11)5-3-2-4-6(8)9/h2-6,9H,1H3,(H,10,11)
InChIKeyKOUFOMHAPSUKFC-UHFFFAOYSA-N
XLogP-0.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid (CID 139752041) is 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid is COC1(C(=O)O)C=CC=CC1O.
What is the InChIKey of 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is KOUFOMHAPSUKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-8(7(10)11)5-3-2-4-6(8)9/h2-6,9H,1H3,(H,10,11).
What are the key properties of 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid?
6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methoxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 139752041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).