(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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Related Compounds

(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
CID 115025339
1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
CID 71055530
(E)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
3-(4-fluorophenyl)-2-methylprop-2-enenitrile
CID 4610546
tert-butyl-[(4-fluorophenyl)methylideneamino]carbamic acid
CID 68662115
1-fluoro-4-(2,4,4-trimethyl-3-nitrosopent-1-enyl)benzene
CID 90844040
(2E)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoic acid
CID 21245106
4-fluorobenzaldehyde;3-(4-fluorophenyl)-2-methylprop-2-enoic acid
CID 159204345
(Z)-3-(4-fluorophenyl)-2-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 83955702
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
CID 10568693

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).