CID 58652123

C6H5O — CID 58652123

IUPAC—
SMILES[CH][CH]c1ccco1
InChIInChI=1S/C6H5O/c1-2-6-4-3-5-7-6/h1-5H
InChIKeyRMAIMMHSPPLAKD-UHFFFAOYSA-N
MW93.10 g/mol
LogP1.54
Rot. Bonds1

About CID 58652123

CID 58652123 (PubChem CID 58652123) has the molecular formula C6H5O and a molecular weight of 93.10 g/mol.

Molecular Properties

Compound NameCID 58652123
PubChem CID58652123
Molecular FormulaC6H5O
Molecular Weight93.10 g/mol
Exact Mass93.03
IUPAC Name—
SMILES[CH][CH]c1ccco1
InChIInChI=1S/C6H5O/c1-2-6-4-3-5-7-6/h1-5H
InChIKeyRMAIMMHSPPLAKD-UHFFFAOYSA-N
XLogP1.54
TPSA13.14 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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58652123?
The IUPAC name of CID 58652123 (CID 58652123) is not available.
What is the SMILES notation for CID 58652123?
The canonical SMILES for CID 58652123 is [CH][CH]c1ccco1.
What is the InChIKey of CID 58652123?
The InChIKey is RMAIMMHSPPLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O/c1-2-6-4-3-5-7-6/h1-5H.
What are the key properties of CID 58652123?
CID 58652123 has a molecular weight of 93.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58652123 is sourced from PubChem (CID 58652123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).