4-(2-propan-2-ylidenecyclopropyl)phenol

C12H14O — CID 45096612

IUPAC4-(2-propan-2-ylidenecyclopropyl)phenol
SMILESCC(C)=C1CC1c1ccc(O)cc1
InChIInChI=1S/C12H14O/c1-8(2)11-7-12(11)9-3-5-10(13)6-4-9/h3-6,12-13H,7H2,1-2H3
InChIKeyANUJSXNYWRZBCK-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.22
Rot. Bonds1

About 4-(2-propan-2-ylidenecyclopropyl)phenol

4-(2-propan-2-ylidenecyclopropyl)phenol (PubChem CID 45096612) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-(2-propan-2-ylidenecyclopropyl)phenol.

Molecular Properties

Compound Name4-(2-propan-2-ylidenecyclopropyl)phenol
PubChem CID45096612
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-(2-propan-2-ylidenecyclopropyl)phenol
SMILESCC(C)=C1CC1c1ccc(O)cc1
InChIInChI=1S/C12H14O/c1-8(2)11-7-12(11)9-3-5-10(13)6-4-9/h3-6,12-13H,7H2,1-2H3
InChIKeyANUJSXNYWRZBCK-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylidenecyclopropyl)phenol?
The IUPAC name of 4-(2-propan-2-ylidenecyclopropyl)phenol (CID 45096612) is 4-(2-propan-2-ylidenecyclopropyl)phenol.
What is the SMILES notation for 4-(2-propan-2-ylidenecyclopropyl)phenol?
The canonical SMILES for 4-(2-propan-2-ylidenecyclopropyl)phenol is CC(C)=C1CC1c1ccc(O)cc1.
What is the InChIKey of 4-(2-propan-2-ylidenecyclopropyl)phenol?
The InChIKey is ANUJSXNYWRZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8(2)11-7-12(11)9-3-5-10(13)6-4-9/h3-6,12-13H,7H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylidenecyclopropyl)phenol?
4-(2-propan-2-ylidenecyclopropyl)phenol has a molecular weight of 174.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylidenecyclopropyl)phenol is sourced from PubChem (CID 45096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).