CID 57454240

C14H11O — CID 57454240

IUPAC—
SMILESC=c1ccc(=C([O])c2ccccc2)cc1
InChIInChI=1S/C14H11O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H2
InChIKeyUPYXSAWZUZZEIM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.68
Rot. Bonds1

About CID 57454240

CID 57454240 (PubChem CID 57454240) has the molecular formula C14H11O and a molecular weight of 195.24 g/mol.

Molecular Properties

Compound NameCID 57454240
PubChem CID57454240
Molecular FormulaC14H11O
Molecular Weight195.24 g/mol
Exact Mass195.08
IUPAC Name—
SMILESC=c1ccc(=C([O])c2ccccc2)cc1
InChIInChI=1S/C14H11O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H2
InChIKeyUPYXSAWZUZZEIM-UHFFFAOYSA-N
XLogP1.68
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 57454240?
The IUPAC name of CID 57454240 (CID 57454240) is not available.
What is the SMILES notation for CID 57454240?
The canonical SMILES for CID 57454240 is C=c1ccc(=C([O])c2ccccc2)cc1.
What is the InChIKey of CID 57454240?
The InChIKey is UPYXSAWZUZZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H2.
What are the key properties of CID 57454240?
CID 57454240 has a molecular weight of 195.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57454240 is sourced from PubChem (CID 57454240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).