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

C7H10O2 — CID 7059435

IUPAC(1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m1/s1
InChIKeyFTZZKLFGNQOODA-RQJHMYQMSA-N
MW126.15 g/mol
LogP0.22
Rot. Bonds

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

(1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol (PubChem CID 7059435) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol
PubChem CID7059435
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m1/s1
InChIKeyFTZZKLFGNQOODA-RQJHMYQMSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol (CID 7059435) is (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol is CC1=CC=C[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is FTZZKLFGNQOODA-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m1/s1.
What are the key properties of (1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol?
(1R,2S)-3-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,2S)-3-methylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 7059435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).