(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol

C15H21BO3 — CID 102452468

IUPAC(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
SMILESCC1(C)OB(C(O)/C=C/c2ccccc2)OC1(C)C
InChIInChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)13(17)11-10-12-8-6-5-7-9-12/h5-11,13,17H,1-4H3/b11-10+
InChIKeyUPMSDBISNYMSHA-ZHACJKMWSA-N
MW260.14 g/mol
LogP2.69
Rot. Bonds3

About (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol

(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol (PubChem CID 102452468) has the molecular formula C15H21BO3 and a molecular weight of 260.14 g/mol. Its IUPAC name is (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
PubChem CID102452468
Molecular FormulaC15H21BO3
Molecular Weight260.14 g/mol
Exact Mass260.16
IUPAC Name(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
SMILESCC1(C)OB(C(O)/C=C/c2ccccc2)OC1(C)C
InChIInChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)13(17)11-10-12-8-6-5-7-9-12/h5-11,13,17H,1-4H3/b11-10+
InChIKeyUPMSDBISNYMSHA-ZHACJKMWSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylprop-2-ene-1,1-diol
CID 54432533
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(1E,4E)-2-methyl-1,5-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-1,4-dien-3-ol
CID 177392996
4,4,5,5-tetramethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-1,3,2-dioxaborolane
CID 100969380
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154711839
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 154711820
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol (CID 102452468) is (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol is CC1(C)OB(C(O)/C=C/c2ccccc2)OC1(C)C.
What is the InChIKey of (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol?
The InChIKey is UPMSDBISNYMSHA-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)13(17)11-10-12-8-6-5-7-9-12/h5-11,13,17H,1-4H3/b11-10+.
What are the key properties of (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol?
(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol has a molecular weight of 260.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 102452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).