(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol

C11H13FO — CID 26595281

IUPAC(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1
InChIKeyVKRVXWMJSBTSNR-LLVKDONJSA-N
MW180.22 g/mol
LogP2.74
Rot. Bonds3

About (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol

(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol (PubChem CID 26595281) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
PubChem CID26595281
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1
InChIKeyVKRVXWMJSBTSNR-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-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
1-(4-chloro-3-methylphenyl)but-3-en-1-ol
CID 2757692
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
2-fluoro-4-(1-hydroxybut-3-enyl)benzonitrile
CID 18009111
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol (CID 26595281) is (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol is C=CC[C@@H](O)c1ccc(C)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol?
The InChIKey is VKRVXWMJSBTSNR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h3,5-7,11,13H,1,4H2,2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol?
(1R)-1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 26595281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).