(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol

C11H13FO — CID 101429404

IUPAC(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/b8-7+
InChIKeyHIKUQBKAHWTTQW-BQYQJAHWSA-N
MW180.22 g/mol
LogP2.61
Rot. Bonds2

About (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol

(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol (PubChem CID 101429404) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol
PubChem CID101429404
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/b8-7+
InChIKeyHIKUQBKAHWTTQW-BQYQJAHWSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol (CID 101429404) is (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol is CC(C)(O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The InChIKey is HIKUQBKAHWTTQW-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13FO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/b8-7+.
What are the key properties of (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
(E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol has a molecular weight of 180.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 101429404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).