(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol

C12H13FO — CID 121012780

IUPAC(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1ccc(F)cc1/C=C/CO
InChIInChI=1S/C12H13FO/c1-2-4-10-6-7-12(13)9-11(10)5-3-8-14/h2-3,5-7,9,14H,1,4,8H2/b5-3+
InChIKeySCNRBZLPRVUVSR-HWKANZROSA-N
MW192.23 g/mol
LogP2.56
Rot. Bonds4

About (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol

(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol (PubChem CID 121012780) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
PubChem CID121012780
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1ccc(F)cc1/C=C/CO
InChIInChI=1S/C12H13FO/c1-2-4-10-6-7-12(13)9-11(10)5-3-8-14/h2-3,5-7,9,14H,1,4,8H2/b5-3+
InChIKeySCNRBZLPRVUVSR-HWKANZROSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.56
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
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455018
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
2-but-1-enyl-1-ethyl-4-fluorobenzene
CID 162284345
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 86725608
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453366
4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enenitrile
CID 170800071
(2-but-3-enyl-4-fluorophenyl)methanol
CID 118307025

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol (CID 121012780) is (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol is C=CCc1ccc(F)cc1/C=C/CO.
What is the InChIKey of (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol?
The InChIKey is SCNRBZLPRVUVSR-HWKANZROSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-4-10-6-7-12(13)9-11(10)5-3-8-14/h2-3,5-7,9,14H,1,4,8H2/b5-3+.
What are the key properties of (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol?
(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol has a molecular weight of 192.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 121012780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).