2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol

C16H23BO4 — CID 71763133

IUPAC2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
SMILESCOc1cc(C/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-6-7-12-8-9-13(18)14(11-12)19-5/h6,8-11,18H,7H2,1-5H3/b10-6+
InChIKeyBOWXKTBXYPHPRW-UXBLZVDNSA-N
MW290.17 g/mol
LogP3.13
Rot. Bonds4

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

2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol (PubChem CID 71763133) has the molecular formula C16H23BO4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
PubChem CID71763133
Molecular FormulaC16H23BO4
Molecular Weight290.17 g/mol
Exact Mass290.17
IUPAC Name2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
SMILESCOc1cc(C/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-6-7-12-8-9-13(18)14(11-12)19-5/h6,8-11,18H,7H2,1-5H3/b10-6+
InChIKeyBOWXKTBXYPHPRW-UXBLZVDNSA-N
XLogP3.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
CID 122643932
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734650
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
5-(4-hydroxy-3-methoxyphenyl)pent-2-enal
CID 86067900
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol (CID 71763133) is 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol is COc1cc(C/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol?
The InChIKey is BOWXKTBXYPHPRW-UXBLZVDNSA-N. The full InChI is InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-6-7-12-8-9-13(18)14(11-12)19-5/h6,8-11,18H,7H2,1-5H3/b10-6+.
What are the key properties of 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol?
2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol has a molecular weight of 290.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol is sourced from PubChem (CID 71763133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).