4-methoxy-1-methylcyclohexa-2,4-dien-1-ol

C8H12O2 — CID 15814903

IUPAC4-methoxy-1-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CCC(C)(O)C=C1
InChIInChI=1S/C8H12O2/c1-8(9)5-3-7(10-2)4-6-8/h3-5,9H,6H2,1-2H3
InChIKeyMISKSGZPELXHRA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds1

About 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol

4-methoxy-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 15814903) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-methoxy-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID15814903
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methoxy-1-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CCC(C)(O)C=C1
InChIInChI=1S/C8H12O2/c1-8(9)5-3-7(10-2)4-6-8/h3-5,9H,6H2,1-2H3
InChIKeyMISKSGZPELXHRA-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol (CID 15814903) is 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol is COC1=CCC(C)(O)C=C1.
What is the InChIKey of 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is MISKSGZPELXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(9)5-3-7(10-2)4-6-8/h3-5,9H,6H2,1-2H3.
What are the key properties of 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol?
4-methoxy-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 15814903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).