cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate

C13H11O- — CID 87949356

IUPACcyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate
SMILESCc1ccccc1C([O-])=C1C=CC=C1
InChIInChI=1S/C13H12O/c1-10-6-2-5-9-12(10)13(14)11-7-3-4-8-11/h2-9,14H,1H3/p-1
InChIKeyOPTALXMKAOTGET-UHFFFAOYSA-M
MW183.23 g/mol
LogP2.19
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate

cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate (PubChem CID 87949356) has the molecular formula C13H11O- and a molecular weight of 183.23 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate
PubChem CID87949356
Molecular FormulaC13H11O-
Molecular Weight183.23 g/mol
Exact Mass183.08
IUPAC Namecyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate
SMILESCc1ccccc1C([O-])=C1C=CC=C1
InChIInChI=1S/C13H12O/c1-10-6-2-5-9-12(10)13(14)11-7-3-4-8-11/h2-9,14H,1H3/p-1
InChIKeyOPTALXMKAOTGET-UHFFFAOYSA-M
XLogP2.19
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate with MolForge

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

Launch Full Analysis

Related Compounds

chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
disodium;(2-methylphenyl)-phosphonatomethanone
CID 66884074
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride
CID 145003471
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
CID 88514850
CID 88514850
1-(2-methylphenyl)butane-1,2-dione
CID 69199618

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate (CID 87949356) is cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate is Cc1ccccc1C([O-])=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate?
The InChIKey is OPTALXMKAOTGET-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12O/c1-10-6-2-5-9-12(10)13(14)11-7-3-4-8-11/h2-9,14H,1H3/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate?
cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate has a molecular weight of 183.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene-(2-methylphenyl)methanolate is sourced from PubChem (CID 87949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).