Formocresol

C₈H₁₄O₂ — CID 156614093

About Formocresol

Formocresol (PubChem CID 156614093) has the molecular formula C₈H₁₄O₂ and a molecular weight of 142.20 g/mol. Its IUPAC name is benzene;formaldehyde;methane;hydrate.

Molecular Properties

• Compound Name: Formocresol
• PubChem CID: 156614093
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.20 g/mol
• Exact Mass: 142.10
• IUPAC Name: benzene;formaldehyde;methane;hydrate
• SMILES: C.C=O.O.c1ccccc1
• InChI: InChI=1S/C6H6.CH2O.CH4.H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1H2;1H4;1H2
• InChIKey: HNMMNXBFRJPJDM-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 48.57 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.20
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Formocresol?

The IUPAC name of Formocresol (CID 156614093) is benzene;formaldehyde;methane;hydrate.

What is the SMILES notation for Formocresol?

The canonical SMILES for Formocresol is C.C=O.O.c1ccccc1.

What is the InChIKey of Formocresol?

The InChIKey is HNMMNXBFRJPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH2O.CH4.H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1H2;1H4;1H2.

What are the key properties of Formocresol?

Formocresol has a molecular weight of 142.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Formocresol is sourced from PubChem (CID 156614093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156614093 — identifiers, structure, computed properties (public domain)

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