CID 59940176

C22H23 — CID 59940176

IUPAC—
SMILESC[C]1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C22H23/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,21H,5-6,13-14H2,1-2H3
InChIKeyUUJFBHQNSHZEHC-UHFFFAOYSA-N
MW287.43 g/mol
LogP5.65
Rot. Bonds1

About CID 59940176

CID 59940176 (PubChem CID 59940176) has the molecular formula C22H23 and a molecular weight of 287.43 g/mol.

Molecular Properties

Compound NameCID 59940176
PubChem CID59940176
Molecular FormulaC22H23
Molecular Weight287.43 g/mol
Exact Mass287.18
IUPAC Name—
SMILESC[C]1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C22H23/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,21H,5-6,13-14H2,1-2H3
InChIKeyUUJFBHQNSHZEHC-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 59940181
CID 59940181
CID 59940166
CID 59940166
1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
CID 59929165
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
CID 59076908
CID 59076908
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-(4-but-3-enylcyclohexyl)-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 140998010
1-methoxy-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19984230

Frequently Asked Questions

What is the IUPAC name of CID 59940176?
The IUPAC name of CID 59940176 (CID 59940176) is not available.
What is the SMILES notation for CID 59940176?
The canonical SMILES for CID 59940176 is C[C]1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of CID 59940176?
The InChIKey is UUJFBHQNSHZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,21H,5-6,13-14H2,1-2H3.
What are the key properties of CID 59940176?
CID 59940176 has a molecular weight of 287.43 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59940176 is sourced from PubChem (CID 59940176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).