CID 59107551

C8H8O2 — CID 59107551

IUPAC—
SMILES[CH]COOc1ccccc1
InChIInChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h1,3-7H,2H2
InChIKeySEIYHNJSLNGZJR-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.71
Rot. Bonds3

About CID 59107551

CID 59107551 (PubChem CID 59107551) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 59107551
PubChem CID59107551
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name—
SMILES[CH]COOc1ccccc1
InChIInChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h1,3-7H,2H2
InChIKeySEIYHNJSLNGZJR-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59107551?
The IUPAC name of CID 59107551 (CID 59107551) is not available.
What is the SMILES notation for CID 59107551?
The canonical SMILES for CID 59107551 is [CH]COOc1ccccc1.
What is the InChIKey of CID 59107551?
The InChIKey is SEIYHNJSLNGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h1,3-7H,2H2.
What are the key properties of CID 59107551?
CID 59107551 has a molecular weight of 136.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59107551 is sourced from PubChem (CID 59107551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).