(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol

C12H15FO — CID 59942455

IUPAC(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
SMILESCC(C)(C)/C(O)=C/c1ccc(F)cc1
InChIInChI=1S/C12H15FO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-8,14H,1-3H3/b11-8-
InChIKeyPNYDLWZJYRKGST-FLIBITNWSA-N
MW194.25 g/mol
LogP3.77
Rot. Bonds1

About (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol

(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol (PubChem CID 59942455) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
PubChem CID59942455
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
SMILESCC(C)(C)/C(O)=C/c1ccc(F)cc1
InChIInChI=1S/C12H15FO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-8,14H,1-3H3/b11-8-
InChIKeyPNYDLWZJYRKGST-FLIBITNWSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol?
The IUPAC name of (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol (CID 59942455) is (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol is CC(C)(C)/C(O)=C/c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol?
The InChIKey is PNYDLWZJYRKGST-FLIBITNWSA-N. The full InChI is InChI=1S/C12H15FO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-8,14H,1-3H3/b11-8-.
What are the key properties of (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol?
(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol has a molecular weight of 194.25 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol is sourced from PubChem (CID 59942455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).