1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol

C9H14O2 — CID 70468313

IUPAC1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol
SMILESCC1=C(O)C(C)C(C)(O)C=C1
InChIInChI=1S/C9H14O2/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,10-11H,1-3H3
InChIKeyNDQDRQQJWZROMG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.78
Rot. Bonds

About 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol

1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol (PubChem CID 70468313) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol
PubChem CID70468313
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol
SMILESCC1=C(O)C(C)C(C)(O)C=C1
InChIInChI=1S/C9H14O2/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,10-11H,1-3H3
InChIKeyNDQDRQQJWZROMG-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylcyclohexa-3,5-diene-1,3-diol
CID 154277759
6-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 174534272
(4S,5R)-4,5-dihydroxy-4-methylcyclohex-2-en-1-one
CID 164781620
6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol
CID 145414627
6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 70419112
3,6-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 66586624
2-bromo-5-methyl-1H-pyridine-2,6-diol
CID 71271263
5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 167074361
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
1,4-dimethyl-6-nitrocyclohexa-2,4-dien-1-ol
CID 150679353
(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 70355900
6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol
CID 141264244

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol (CID 70468313) is 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol is CC1=C(O)C(C)C(C)(O)C=C1.
What is the InChIKey of 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol?
The InChIKey is NDQDRQQJWZROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,10-11H,1-3H3.
What are the key properties of 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol?
1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol has a molecular weight of 154.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 70468313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).