(2-but-3-enyl-4-fluorophenyl)methanol

C11H13FO — CID 118307025

IUPAC(2-but-3-enyl-4-fluorophenyl)methanol
SMILESC=CCCc1cc(F)ccc1CO
InChIInChI=1S/C11H13FO/c1-2-3-4-9-7-11(12)6-5-10(9)8-13/h2,5-7,13H,1,3-4,8H2
InChIKeyCEUCSKDRPMVIKK-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.44
Rot. Bonds4

About (2-but-3-enyl-4-fluorophenyl)methanol

(2-but-3-enyl-4-fluorophenyl)methanol (PubChem CID 118307025) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2-but-3-enyl-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-but-3-enyl-4-fluorophenyl)methanol
PubChem CID118307025
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2-but-3-enyl-4-fluorophenyl)methanol
SMILESC=CCCc1cc(F)ccc1CO
InChIInChI=1S/C11H13FO/c1-2-3-4-9-7-11(12)6-5-10(9)8-13/h2,5-7,13H,1,3-4,8H2
InChIKeyCEUCSKDRPMVIKK-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.44
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

(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine
CID 118307040
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
1-(2,4-difluorophenyl)hept-6-en-2-ol
CID 64561193
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene
CID 58719127
(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
CID 121012780
[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 86725608

Frequently Asked Questions

What is the IUPAC name of (2-but-3-enyl-4-fluorophenyl)methanol?
The IUPAC name of (2-but-3-enyl-4-fluorophenyl)methanol (CID 118307025) is (2-but-3-enyl-4-fluorophenyl)methanol.
What is the SMILES notation for (2-but-3-enyl-4-fluorophenyl)methanol?
The canonical SMILES for (2-but-3-enyl-4-fluorophenyl)methanol is C=CCCc1cc(F)ccc1CO.
What is the InChIKey of (2-but-3-enyl-4-fluorophenyl)methanol?
The InChIKey is CEUCSKDRPMVIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-2-3-4-9-7-11(12)6-5-10(9)8-13/h2,5-7,13H,1,3-4,8H2.
What are the key properties of (2-but-3-enyl-4-fluorophenyl)methanol?
(2-but-3-enyl-4-fluorophenyl)methanol has a molecular weight of 180.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-enyl-4-fluorophenyl)methanol is sourced from PubChem (CID 118307025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).