methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol

C8H10O2 — CID 73169366

IUPACmethoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCOC(O)=C1C=CC=C1C
InChIInChI=1S/C8H10O2/c1-6-4-3-5-7(6)8(9)10-2/h3-5,9H,1-2H3
InChIKeyKMYHJZPGPCTPLK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.92
Rot. Bonds1

About methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol

methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 73169366) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Namemethoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID73169366
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namemethoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCOC(O)=C1C=CC=C1C
InChIInChI=1S/C8H10O2/c1-6-4-3-5-7(6)8(9)10-2/h3-5,9H,1-2H3
InChIKeyKMYHJZPGPCTPLK-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol (CID 73169366) is methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol is COC(O)=C1C=CC=C1C.
What is the InChIKey of methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is KMYHJZPGPCTPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-4-3-5-7(6)8(9)10-2/h3-5,9H,1-2H3.
What are the key properties of methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 138.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 73169366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).