CID 158303757

C17H19FO2 — CID 158303757

IUPAC—
SMILESFc1cccc2c1C1CC1C21CCCC2(C1)OCCO2
InChIInChI=1S/C17H19FO2/c18-14-4-1-3-12-15(14)11-9-13(11)16(12)5-2-6-17(10-16)19-7-8-20-17/h1,3-4,11,13H,2,5-10H2
InChIKeyGMUYTIMZPHVENV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.50
Rot. Bonds

About CID 158303757

CID 158303757 (PubChem CID 158303757) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol.

Molecular Properties

Compound NameCID 158303757
PubChem CID158303757
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name—
SMILESFc1cccc2c1C1CC1C21CCCC2(C1)OCCO2
InChIInChI=1S/C17H19FO2/c18-14-4-1-3-12-15(14)11-9-13(11)16(12)5-2-6-17(10-16)19-7-8-20-17/h1,3-4,11,13H,2,5-10H2
InChIKeyGMUYTIMZPHVENV-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 158303757?
The IUPAC name of CID 158303757 (CID 158303757) is not available.
What is the SMILES notation for CID 158303757?
The canonical SMILES for CID 158303757 is Fc1cccc2c1C1CC1C21CCCC2(C1)OCCO2.
What is the InChIKey of CID 158303757?
The InChIKey is GMUYTIMZPHVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-14-4-1-3-12-15(14)11-9-13(11)16(12)5-2-6-17(10-16)19-7-8-20-17/h1,3-4,11,13H,2,5-10H2.
What are the key properties of CID 158303757?
CID 158303757 has a molecular weight of 274.34 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158303757 is sourced from PubChem (CID 158303757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).