CID 5377441

C6H5O — CID 5377441

IUPAC—
SMILESO=C[C]1C=CC=C1
InChIInChI=1S/C6H5O/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyRILNSTIHTFDVJR-UHFFFAOYSA-N
MW93.10 g/mol
LogP0.89
Rot. Bonds1

About CID 5377441

CID 5377441 (PubChem CID 5377441) has the molecular formula C6H5O and a molecular weight of 93.10 g/mol.

Molecular Properties

Compound NameCID 5377441
PubChem CID5377441
Molecular FormulaC6H5O
Molecular Weight93.10 g/mol
Exact Mass93.03
IUPAC Name—
SMILESO=C[C]1C=CC=C1
InChIInChI=1S/C6H5O/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyRILNSTIHTFDVJR-UHFFFAOYSA-N
XLogP0.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.10
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5377441?
The IUPAC name of CID 5377441 (CID 5377441) is not available.
What is the SMILES notation for CID 5377441?
The canonical SMILES for CID 5377441 is O=C[C]1C=CC=C1.
What is the InChIKey of CID 5377441?
The InChIKey is RILNSTIHTFDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O/c7-5-6-3-1-2-4-6/h1-5H.
What are the key properties of CID 5377441?
CID 5377441 has a molecular weight of 93.10 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5377441 is sourced from PubChem (CID 5377441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).