[4-[(Z)-but-2-enoxy]phenyl]boronic acid

C10H13BO3 — CID 99880540

IUPAC[4-[(Z)-but-2-enoxy]phenyl]boronic acid
SMILESC/C=C\COc1ccc(B(O)O)cc1
InChIInChI=1S/C10H13BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2-7,12-13H,8H2,1H3/b3-2-
InChIKeyOVGCUCIIUMMWEJ-IHWYPQMZSA-N
MW192.02 g/mol
LogP0.32
Rot. Bonds4

About [4-[(Z)-but-2-enoxy]phenyl]boronic acid

[4-[(Z)-but-2-enoxy]phenyl]boronic acid (PubChem CID 99880540) has the molecular formula C10H13BO3 and a molecular weight of 192.02 g/mol. Its IUPAC name is [4-[(Z)-but-2-enoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(Z)-but-2-enoxy]phenyl]boronic acid
PubChem CID99880540
Molecular FormulaC10H13BO3
Molecular Weight192.02 g/mol
Exact Mass192.10
IUPAC Name[4-[(Z)-but-2-enoxy]phenyl]boronic acid
SMILESC/C=C\COc1ccc(B(O)O)cc1
InChIInChI=1S/C10H13BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2-7,12-13H,8H2,1H3/b3-2-
InChIKeyOVGCUCIIUMMWEJ-IHWYPQMZSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 50.32
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

1-[(E)-but-2-enoxy]-4-iodobenzene
CID 87803030
but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936
[4-[(4-boronophenoxy)methyl]phenyl]boronic acid
CID 58343824
sodium 4-but-2-enoxybenzenesulfonate
CID 141464024
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
[4-(3-chloropropoxy)phenyl]boronic acid
CID 67281130

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-but-2-enoxy]phenyl]boronic acid?
The IUPAC name of [4-[(Z)-but-2-enoxy]phenyl]boronic acid (CID 99880540) is [4-[(Z)-but-2-enoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[(Z)-but-2-enoxy]phenyl]boronic acid?
The canonical SMILES for [4-[(Z)-but-2-enoxy]phenyl]boronic acid is C/C=C\COc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[(Z)-but-2-enoxy]phenyl]boronic acid?
The InChIKey is OVGCUCIIUMMWEJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H13BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2-7,12-13H,8H2,1H3/b3-2-.
What are the key properties of [4-[(Z)-but-2-enoxy]phenyl]boronic acid?
[4-[(Z)-but-2-enoxy]phenyl]boronic acid has a molecular weight of 192.02 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-but-2-enoxy]phenyl]boronic acid is sourced from PubChem (CID 99880540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).