2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

C10H14O5 — CID 139917516

IUPAC2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESCOC1C=CC=CC1(OC)C(O)C(=O)O
InChIInChI=1S/C10H14O5/c1-14-7-5-3-4-6-10(7,15-2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13)
InChIKeyWHZFOZBKUFWMTR-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.04
Rot. Bonds4

About 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (PubChem CID 139917516) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
PubChem CID139917516
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESCOC1C=CC=CC1(OC)C(O)C(=O)O
InChIInChI=1S/C10H14O5/c1-14-7-5-3-4-6-10(7,15-2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13)
InChIKeyWHZFOZBKUFWMTR-UHFFFAOYSA-N
XLogP-0.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (CID 139917516) is 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is COC1C=CC=CC1(OC)C(O)C(=O)O.
What is the InChIKey of 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The InChIKey is WHZFOZBKUFWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-14-7-5-3-4-6-10(7,15-2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13).
What are the key properties of 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid has a molecular weight of 214.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 139917516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).