(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid

C10H12BFO3 — CID 67984232

IUPAC(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid
SMILESC=CCc1cc(B(O)O)c(OC)cc1F
InChIInChI=1S/C10H12BFO3/c1-3-4-7-5-8(11(13)14)10(15-2)6-9(7)12/h3,5-6,13-14H,1,4H2,2H3
InChIKeyBVLXSGVJGUEUAO-UHFFFAOYSA-N
MW210.01 g/mol
LogP0.24
Rot. Bonds4

About (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid

(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid (PubChem CID 67984232) has the molecular formula C10H12BFO3 and a molecular weight of 210.01 g/mol. Its IUPAC name is (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid
PubChem CID67984232
Molecular FormulaC10H12BFO3
Molecular Weight210.01 g/mol
Exact Mass210.09
IUPAC Name(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid
SMILESC=CCc1cc(B(O)O)c(OC)cc1F
InChIInChI=1S/C10H12BFO3/c1-3-4-7-5-8(11(13)14)10(15-2)6-9(7)12/h3,5-6,13-14H,1,4H2,2H3
InChIKeyBVLXSGVJGUEUAO-UHFFFAOYSA-N
XLogP0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene
CID 123625803
[2-fluoro-4-(hydroxymethyl)-5-methoxyphenyl]boronic acid
CID 166595196
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
1-chloro-7-fluoro-6-methoxy-4-prop-2-enylisoquinoline
CID 141404605
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid?
The IUPAC name of (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid (CID 67984232) is (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid is C=CCc1cc(B(O)O)c(OC)cc1F.
What is the InChIKey of (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid?
The InChIKey is BVLXSGVJGUEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BFO3/c1-3-4-7-5-8(11(13)14)10(15-2)6-9(7)12/h3,5-6,13-14H,1,4H2,2H3.
What are the key properties of (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid?
(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid has a molecular weight of 210.01 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid is sourced from PubChem (CID 67984232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).