3-methoxycyclohexa-3,5-diene-1,2-diol

C7H10O3 — CID 72741284

IUPAC3-methoxycyclohexa-3,5-diene-1,2-diol
SMILESCOC1=CC=CC(O)C1O
InChIInChI=1S/C7H10O3/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7-9H,1H3
InChIKeyZQYAHWIDUZRFMZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.19
Rot. Bonds1

About 3-methoxycyclohexa-3,5-diene-1,2-diol

3-methoxycyclohexa-3,5-diene-1,2-diol (PubChem CID 72741284) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-methoxycyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3-methoxycyclohexa-3,5-diene-1,2-diol
PubChem CID72741284
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-methoxycyclohexa-3,5-diene-1,2-diol
SMILESCOC1=CC=CC(O)C1O
InChIInChI=1S/C7H10O3/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7-9H,1H3
InChIKeyZQYAHWIDUZRFMZ-UHFFFAOYSA-N
XLogP-0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
Cis-1,2-dihydrocatechol
CID 176951
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
(1S,2S)-cyclohexa-3,5-diene-1,2-diol
CID 152287
(2R,3R,4R)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 10866360
2-Methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 265571
(2S,3S,4E)-hepta-4,6-diene-2,3-diol
CID 156581778
1,3-Cyclohexadiene-1,3,5-triol
CID 179492
Dihydrohydroxyhydroquinone
CID 89653043
(2S,3R,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 10986248
(2S,3R)-4-methoxyocta-4,6-diene-2,3-diol
CID 162945692
(2S,3R,4E,6E)-4-methoxyocta-4,6-diene-2,3-diol
CID 163195656

Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3-methoxycyclohexa-3,5-diene-1,2-diol (CID 72741284) is 3-methoxycyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3-methoxycyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3-methoxycyclohexa-3,5-diene-1,2-diol is COC1=CC=CC(O)C1O.
What is the InChIKey of 3-methoxycyclohexa-3,5-diene-1,2-diol?
The InChIKey is ZQYAHWIDUZRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7-9H,1H3.
What are the key properties of 3-methoxycyclohexa-3,5-diene-1,2-diol?
3-methoxycyclohexa-3,5-diene-1,2-diol has a molecular weight of 142.15 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 72741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).