3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C15H21BO3 — CID 59860884

IUPAC3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESC=CCc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21BO3/c1-6-7-11-8-12(10-13(17)9-11)16-18-14(2,3)15(4,5)19-16/h6,8-10,17H,1,7H2,2-5H3
InChIKeyWCWRAJNYADUFCY-UHFFFAOYSA-N
MW260.14 g/mol
LogP2.42
Rot. Bonds3

About 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (PubChem CID 59860884) has the molecular formula C15H21BO3 and a molecular weight of 260.14 g/mol. Its IUPAC name is 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

Molecular Properties

Compound Name3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
PubChem CID59860884
Molecular FormulaC15H21BO3
Molecular Weight260.14 g/mol
Exact Mass260.16
IUPAC Name3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESC=CCc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21BO3/c1-6-7-11-8-12(10-13(17)9-11)16-18-14(2,3)15(4,5)19-16/h6,8-10,17H,1,7H2,2-5H3
InChIKeyWCWRAJNYADUFCY-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
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

3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 11715768
2-[3,5-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170692995
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;ethane
CID 143678827
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734649
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158702164
3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 90102151
[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 74888619
3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 144775988
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenol
CID 162354292
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The IUPAC name of 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CID 59860884) is 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.
What is the SMILES notation for 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The canonical SMILES for 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is C=CCc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The InChIKey is WCWRAJNYADUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BO3/c1-6-7-11-8-12(10-13(17)9-11)16-18-14(2,3)15(4,5)19-16/h6,8-10,17H,1,7H2,2-5H3.
What are the key properties of 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol has a molecular weight of 260.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is sourced from PubChem (CID 59860884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).