CID 101147236

C6H5O — CID 101147236

IUPAC—
SMILES[O][13c]1ccccc1
InChIInChI=1S/C6H5O/c7-6-4-2-1-3-5-6/h1-5H/i6+1
InChIKeyKHUXNRRPPZOJPT-PTQBSOBMSA-N
MW94.10 g/mol
LogP1.83
Rot. Bonds

About CID 101147236

CID 101147236 (PubChem CID 101147236) has the molecular formula C6H5O and a molecular weight of 94.10 g/mol.

Molecular Properties

Compound NameCID 101147236
PubChem CID101147236
Molecular FormulaC6H5O
Molecular Weight94.10 g/mol
Exact Mass94.04
IUPAC Name—
SMILES[O][13c]1ccccc1
InChIInChI=1S/C6H5O/c7-6-4-2-1-3-5-6/h1-5H/i6+1
InChIKeyKHUXNRRPPZOJPT-PTQBSOBMSA-N
XLogP1.83
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101147236?
The IUPAC name of CID 101147236 (CID 101147236) is not available.
What is the SMILES notation for CID 101147236?
The canonical SMILES for CID 101147236 is [O][13c]1ccccc1.
What is the InChIKey of CID 101147236?
The InChIKey is KHUXNRRPPZOJPT-PTQBSOBMSA-N. The full InChI is InChI=1S/C6H5O/c7-6-4-2-1-3-5-6/h1-5H/i6+1.
What are the key properties of CID 101147236?
CID 101147236 has a molecular weight of 94.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101147236 is sourced from PubChem (CID 101147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).