CID 142123469

C17H22 — CID 142123469

IUPAC—
SMILESCc1ccccc1.[CH2]C.[CH2]c1ccc(C)cc1
InChIInChI=1S/C8H9.C7H8.C2H5/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3-6H,1H2,2H3;2-6H,1H3;1H2,2H3
InChIKeyRHVUMPYDXDIXJD-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.01
Rot. Bonds

About CID 142123469

CID 142123469 (PubChem CID 142123469) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol.

Molecular Properties

Compound NameCID 142123469
PubChem CID142123469
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name—
SMILESCc1ccccc1.[CH2]C.[CH2]c1ccc(C)cc1
InChIInChI=1S/C8H9.C7H8.C2H5/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3-6H,1H2,2H3;2-6H,1H3;1H2,2H3
InChIKeyRHVUMPYDXDIXJD-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 142123469?
The IUPAC name of CID 142123469 (CID 142123469) is not available.
What is the SMILES notation for CID 142123469?
The canonical SMILES for CID 142123469 is Cc1ccccc1.[CH2]C.[CH2]c1ccc(C)cc1.
What is the InChIKey of CID 142123469?
The InChIKey is RHVUMPYDXDIXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C7H8.C2H5/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3-6H,1H2,2H3;2-6H,1H3;1H2,2H3.
What are the key properties of CID 142123469?
CID 142123469 has a molecular weight of 226.36 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142123469 is sourced from PubChem (CID 142123469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).