2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol

C12H15FO — CID 79335798

IUPAC2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1ccc(F)cc1)CO
InChIInChI=1S/C12H15FO/c1-9(2)11(8-14)7-10-3-5-12(13)6-4-10/h3-7,9,14H,8H2,1-2H3
InChIKeyDHIWKAVLOHSLLH-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.86
Rot. Bonds3

About 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol

2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79335798) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79335798
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1ccc(F)cc1)CO
InChIInChI=1S/C12H15FO/c1-9(2)11(8-14)7-10-3-5-12(13)6-4-10/h3-7,9,14H,8H2,1-2H3
InChIKeyDHIWKAVLOHSLLH-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334533
(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
CID 159457366
3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
CID 79334428
(2E)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoic acid
CID 21245106
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
CID 173132678
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-propan-2-ylbenzene
CID 79322960
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334184
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
CID 87895075

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol (CID 79335798) is 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol is CC(C)C(=Cc1ccc(F)cc1)CO.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is DHIWKAVLOHSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(2)11(8-14)7-10-3-5-12(13)6-4-10/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol?
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 194.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).