CID 123139765

C22H27- — CID 123139765

IUPAC—
SMILESC=Cc1cccc(C(Cc2ccccc2C)C(C)CC)c1[CH2-]
InChIInChI=1S/C22H27/c1-6-16(3)22(15-20-12-9-8-11-17(20)4)21-14-10-13-19(7-2)18(21)5/h7-14,16,22H,2,5-6,15H2,1,3-4H3/q-1
InChIKeyOVQXQKAUVOUIOI-UHFFFAOYSA-N
MW291.46 g/mol
LogP6.19
Rot. Bonds6

About CID 123139765

CID 123139765 (PubChem CID 123139765) has the molecular formula C22H27- and a molecular weight of 291.46 g/mol.

Molecular Properties

Compound NameCID 123139765
PubChem CID123139765
Molecular FormulaC22H27-
Molecular Weight291.46 g/mol
Exact Mass291.21
IUPAC Name—
SMILESC=Cc1cccc(C(Cc2ccccc2C)C(C)CC)c1[CH2-]
InChIInChI=1S/C22H27/c1-6-16(3)22(15-20-12-9-8-11-17(20)4)21-14-10-13-19(7-2)18(21)5/h7-14,16,22H,2,5-6,15H2,1,3-4H3/q-1
InChIKeyOVQXQKAUVOUIOI-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 123139765 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

2-(2-ethenylphenyl)-1-(2-methylphenyl)ethanol
CID 126495581
2-butan-2-yl-1-ethenyl-3-methylbenzene
CID 150268665
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
1,2-bis(2-methylphenyl)ethanol
CID 60798292
1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene
CID 123346539
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
[1-(2-ethenylphenyl)-2-(2-methylphenyl)ethyl] (4-nitrophenyl) carbonate
CID 126727842
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027

Frequently Asked Questions

What is the IUPAC name of CID 123139765?
The IUPAC name of CID 123139765 (CID 123139765) is not available.
What is the SMILES notation for CID 123139765?
The canonical SMILES for CID 123139765 is C=Cc1cccc(C(Cc2ccccc2C)C(C)CC)c1[CH2-].
What is the InChIKey of CID 123139765?
The InChIKey is OVQXQKAUVOUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27/c1-6-16(3)22(15-20-12-9-8-11-17(20)4)21-14-10-13-19(7-2)18(21)5/h7-14,16,22H,2,5-6,15H2,1,3-4H3/q-1.
What are the key properties of CID 123139765?
CID 123139765 has a molecular weight of 291.46 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123139765 is sourced from PubChem (CID 123139765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).