(4-ethylphenyl)methanol;formamide

C₁₀H₁₅NO₂ — CID 142287021

About (4-ethylphenyl)methanol;formamide

(4-ethylphenyl)methanol;formamide (PubChem CID 142287021) has the molecular formula C₁₀H₁₅NO₂ and a molecular weight of 181.23 g/mol. Its IUPAC name is (4-ethylphenyl)methanol;formamide.

Molecular Properties

• Compound Name: (4-ethylphenyl)methanol;formamide
• PubChem CID: 142287021
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.23 g/mol
• Exact Mass: 181.11
• IUPAC Name: (4-ethylphenyl)methanol;formamide
• SMILES: CCc1ccc(CO)cc1.NC=O
• InChI: InChI=1S/C9H12O.CH3NO/c1-2-8-3-5-9(7-10)6-4-8;2-1-3/h3-6,10H,2,7H2,1H3;1H,(H2,2,3)
• InChIKey: OPAIHBYYBNDKKY-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.23
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methanol;formamide?

The IUPAC name of (4-ethylphenyl)methanol;formamide (CID 142287021) is (4-ethylphenyl)methanol;formamide.

What is the SMILES notation for (4-ethylphenyl)methanol;formamide?

The canonical SMILES for (4-ethylphenyl)methanol;formamide is CCc1ccc(CO)cc1.NC=O.

What is the InChIKey of (4-ethylphenyl)methanol;formamide?

The InChIKey is OPAIHBYYBNDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CH3NO/c1-2-8-3-5-9(7-10)6-4-8;2-1-3/h3-6,10H,2,7H2,1H3;1H,(H2,2,3).

What are the key properties of (4-ethylphenyl)methanol;formamide?

(4-ethylphenyl)methanol;formamide has a molecular weight of 181.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethylphenyl)methanol;formamide is sourced from PubChem (CID 142287021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142287021 — identifiers, structure, computed properties (public domain)

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