CID 143970071

C17H15 — CID 143970071

IUPAC—
SMILESC#Cc1ccccc1.[CH2]c1ccc(C=C)cc1
InChIInChI=1S/C9H9.C8H6/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1-2H2;1,3-7H
InChIKeyAZEDJJUNJBFRIS-UHFFFAOYSA-N
MW219.31 g/mol
LogP4.18
Rot. Bonds1

About CID 143970071

CID 143970071 (PubChem CID 143970071) has the molecular formula C17H15 and a molecular weight of 219.31 g/mol.

Molecular Properties

Compound NameCID 143970071
PubChem CID143970071
Molecular FormulaC17H15
Molecular Weight219.31 g/mol
Exact Mass219.12
IUPAC Name—
SMILESC#Cc1ccccc1.[CH2]c1ccc(C=C)cc1
InChIInChI=1S/C9H9.C8H6/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1-2H2;1,3-7H
InChIKeyAZEDJJUNJBFRIS-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143970071?
The IUPAC name of CID 143970071 (CID 143970071) is not available.
What is the SMILES notation for CID 143970071?
The canonical SMILES for CID 143970071 is C#Cc1ccccc1.[CH2]c1ccc(C=C)cc1.
What is the InChIKey of CID 143970071?
The InChIKey is AZEDJJUNJBFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9.C8H6/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8/h3-7H,1-2H2;1,3-7H.
What are the key properties of CID 143970071?
CID 143970071 has a molecular weight of 219.31 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143970071 is sourced from PubChem (CID 143970071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).