4-(1-isocyano-2-methylcyclopropyl)phenol

C11H11NO — CID 84766458

IUPAC4-(1-isocyano-2-methylcyclopropyl)phenol
SMILES[C-]#[N+]C1(c2ccc(O)cc2)CC1C
InChIInChI=1S/C11H11NO/c1-8-7-11(8,12-2)9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1H3
InChIKeyVUEHSGBRMPYYRW-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.55
Rot. Bonds1

About 4-(1-isocyano-2-methylcyclopropyl)phenol

4-(1-isocyano-2-methylcyclopropyl)phenol (PubChem CID 84766458) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(1-isocyano-2-methylcyclopropyl)phenol.

Molecular Properties

Compound Name4-(1-isocyano-2-methylcyclopropyl)phenol
PubChem CID84766458
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name4-(1-isocyano-2-methylcyclopropyl)phenol
SMILES[C-]#[N+]C1(c2ccc(O)cc2)CC1C
InChIInChI=1S/C11H11NO/c1-8-7-11(8,12-2)9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1H3
InChIKeyVUEHSGBRMPYYRW-UHFFFAOYSA-N
XLogP2.55
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-isocyano-2-methylcyclopropyl)phenol?
The IUPAC name of 4-(1-isocyano-2-methylcyclopropyl)phenol (CID 84766458) is 4-(1-isocyano-2-methylcyclopropyl)phenol.
What is the SMILES notation for 4-(1-isocyano-2-methylcyclopropyl)phenol?
The canonical SMILES for 4-(1-isocyano-2-methylcyclopropyl)phenol is [C-]#[N+]C1(c2ccc(O)cc2)CC1C.
What is the InChIKey of 4-(1-isocyano-2-methylcyclopropyl)phenol?
The InChIKey is VUEHSGBRMPYYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-7-11(8,12-2)9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1H3.
What are the key properties of 4-(1-isocyano-2-methylcyclopropyl)phenol?
4-(1-isocyano-2-methylcyclopropyl)phenol has a molecular weight of 173.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-isocyano-2-methylcyclopropyl)phenol is sourced from PubChem (CID 84766458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).