CID 138984815

C8H7O2 — CID 138984815

IUPAC—
SMILESO[C]1OCc2ccccc21
InChIInChI=1S/C8H7O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKeyAEGHZFPHCOLRKR-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.43
Rot. Bonds

About CID 138984815

CID 138984815 (PubChem CID 138984815) has the molecular formula C8H7O2 and a molecular weight of 135.14 g/mol.

Molecular Properties

Compound NameCID 138984815
PubChem CID138984815
Molecular FormulaC8H7O2
Molecular Weight135.14 g/mol
Exact Mass135.04
IUPAC Name—
SMILESO[C]1OCc2ccccc21
InChIInChI=1S/C8H7O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKeyAEGHZFPHCOLRKR-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 138984815?
The IUPAC name of CID 138984815 (CID 138984815) is not available.
What is the SMILES notation for CID 138984815?
The canonical SMILES for CID 138984815 is O[C]1OCc2ccccc21.
What is the InChIKey of CID 138984815?
The InChIKey is AEGHZFPHCOLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2.
What are the key properties of CID 138984815?
CID 138984815 has a molecular weight of 135.14 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138984815 is sourced from PubChem (CID 138984815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).