(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol

C7H10O2 — CID 11622337

IUPAC(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
SMILESC[C@@]1(O)C=CC=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3/t6-,7-/m1/s1
InChIKeyLNTVWURFZCEJDN-RNFRBKRXSA-N
MW126.15 g/mol
LogP0.22
Rot. Bonds

About (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol

(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol (PubChem CID 11622337) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
PubChem CID11622337
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
SMILESC[C@@]1(O)C=CC=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3/t6-,7-/m1/s1
InChIKeyLNTVWURFZCEJDN-RNFRBKRXSA-N
XLogP0.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
2,2-dimethylcyclohepta-4,6-diene-1,3-diol
CID 130145484
1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)peroxycyclohexa-3,5-diene-1,2-diol
CID 141318348
6-amino-6-bromocyclohexa-2,4-dien-1-ol
CID 68848046
6-methyl-6-propylcyclohexa-2,4-dien-1-ol
CID 70425979
2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetonitrile
CID 121226905
1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 157098442
6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
CID 69459384
6-chloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154395848
6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69104269
6-amino-6-fluorocyclohexa-2,4-dien-1-ol
CID 69333479
6-bromo-6-iodocyclohexa-2,4-dien-1-ol
CID 154174445

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol (CID 11622337) is (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol is C[C@@]1(O)C=CC=C[C@H]1O.
What is the InChIKey of (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is LNTVWURFZCEJDN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol?
(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 126.15 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 11622337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).