(4-pentan-3-yloxyphenyl)boronic acid

C11H17BO3 — CID 58007662

IUPAC(4-pentan-3-yloxyphenyl)boronic acid
SMILESCCC(CC)Oc1ccc(B(O)O)cc1
InChIInChI=1S/C11H17BO3/c1-3-10(4-2)15-11-7-5-9(6-8-11)12(13)14/h5-8,10,13-14H,3-4H2,1-2H3
InChIKeyWSOOCEYVKAVDNW-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.93
Rot. Bonds5

About (4-pentan-3-yloxyphenyl)boronic acid

(4-pentan-3-yloxyphenyl)boronic acid (PubChem CID 58007662) has the molecular formula C11H17BO3 and a molecular weight of 208.07 g/mol. Its IUPAC name is (4-pentan-3-yloxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-pentan-3-yloxyphenyl)boronic acid
PubChem CID58007662
Molecular FormulaC11H17BO3
Molecular Weight208.07 g/mol
Exact Mass208.13
IUPAC Name(4-pentan-3-yloxyphenyl)boronic acid
SMILESCCC(CC)Oc1ccc(B(O)O)cc1
InChIInChI=1S/C11H17BO3/c1-3-10(4-2)15-11-7-5-9(6-8-11)12(13)14/h5-8,10,13-14H,3-4H2,1-2H3
InChIKeyWSOOCEYVKAVDNW-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-pentan-3-yloxyphenyl)phenyl]boronic acid
CID 46739069
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
(4-fluoro-3-pentan-3-yloxyphenyl)boronic acid
CID 114674666
[4-(2-methylbutoxy)phenyl]boronic acid
CID 62104576
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
propan-2-ol;(4-propoxyphenyl)boronic acid
CID 159466801
[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
CID 54971073
[4-[2-(1-ethoxypropan-2-yloxy)ethoxy]phenyl]boronic acid
CID 103489571
1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
CID 15239123
1,3-di(pentan-3-yloxy)benzene
CID 91386050
[4-(2-methylbutyl)phenyl]boronic acid
CID 18754957

Frequently Asked Questions

What is the IUPAC name of (4-pentan-3-yloxyphenyl)boronic acid?
The IUPAC name of (4-pentan-3-yloxyphenyl)boronic acid (CID 58007662) is (4-pentan-3-yloxyphenyl)boronic acid.
What is the SMILES notation for (4-pentan-3-yloxyphenyl)boronic acid?
The canonical SMILES for (4-pentan-3-yloxyphenyl)boronic acid is CCC(CC)Oc1ccc(B(O)O)cc1.
What is the InChIKey of (4-pentan-3-yloxyphenyl)boronic acid?
The InChIKey is WSOOCEYVKAVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3/c1-3-10(4-2)15-11-7-5-9(6-8-11)12(13)14/h5-8,10,13-14H,3-4H2,1-2H3.
What are the key properties of (4-pentan-3-yloxyphenyl)boronic acid?
(4-pentan-3-yloxyphenyl)boronic acid has a molecular weight of 208.07 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentan-3-yloxyphenyl)boronic acid is sourced from PubChem (CID 58007662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).