(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol

C11H13FO — CID 94420605

IUPAC(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1cc(F)ccc1C
InChIInChI=1S/C11H13FO/c1-3-4-11(13)10-7-9(12)6-5-8(10)2/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1
InChIKeyIKOYORQFWXQXMT-LLVKDONJSA-N
MW180.22 g/mol
LogP2.74
Rot. Bonds3

About (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol

(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol (PubChem CID 94420605) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
PubChem CID94420605
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1cc(F)ccc1C
InChIInChI=1S/C11H13FO/c1-3-4-11(13)10-7-9(12)6-5-8(10)2/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1
InChIKeyIKOYORQFWXQXMT-LLVKDONJSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol (CID 94420605) is (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol is C=CC[C@@H](O)c1cc(F)ccc1C.
What is the InChIKey of (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol?
The InChIKey is IKOYORQFWXQXMT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-4-11(13)10-7-9(12)6-5-8(10)2/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol?
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 94420605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).