CID 101388329

C16H14+ — CID 101388329

IUPAC—
SMILESC=C([CH2+])[C](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H2/q+1
InChIKeyXYSOOPWINLTRPJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.05
Rot. Bonds3

About CID 101388329

CID 101388329 (PubChem CID 101388329) has the molecular formula C16H14+ and a molecular weight of 206.29 g/mol.

Molecular Properties

Compound NameCID 101388329
PubChem CID101388329
Molecular FormulaC16H14+
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name—
SMILESC=C([CH2+])[C](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H2/q+1
InChIKeyXYSOOPWINLTRPJ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101388329?
The IUPAC name of CID 101388329 (CID 101388329) is not available.
What is the SMILES notation for CID 101388329?
The canonical SMILES for CID 101388329 is C=C([CH2+])[C](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 101388329?
The InChIKey is XYSOOPWINLTRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H2/q+1.
What are the key properties of CID 101388329?
CID 101388329 has a molecular weight of 206.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101388329 is sourced from PubChem (CID 101388329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).