[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane

C15H23BO3 — CID 139252236

IUPAC[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane
SMILESCOc1cccc(/C=C/B(OC(C)C)OC(C)C)c1
InChIInChI=1S/C15H23BO3/c1-12(2)18-16(19-13(3)4)10-9-14-7-6-8-15(11-14)17-5/h6-13H,1-5H3/b10-9+
InChIKeyHTAVTTMWZDAUCW-MDZDMXLPSA-N
MW262.16 g/mol
LogP3.59
Rot. Bonds7

About [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane

[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane (PubChem CID 139252236) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane
PubChem CID139252236
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane
SMILESCOc1cccc(/C=C/B(OC(C)C)OC(C)C)c1
InChIInChI=1S/C15H23BO3/c1-12(2)18-16(19-13(3)4)10-9-14-7-6-8-15(11-14)17-5/h6-13H,1-5H3/b10-9+
InChIKeyHTAVTTMWZDAUCW-MDZDMXLPSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243
(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
CID 92858992
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane?
The IUPAC name of [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane (CID 139252236) is [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane.
What is the SMILES notation for [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane?
The canonical SMILES for [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane is COc1cccc(/C=C/B(OC(C)C)OC(C)C)c1.
What is the InChIKey of [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane?
The InChIKey is HTAVTTMWZDAUCW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H23BO3/c1-12(2)18-16(19-13(3)4)10-9-14-7-6-8-15(11-14)17-5/h6-13H,1-5H3/b10-9+.
What are the key properties of [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane?
[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane has a molecular weight of 262.16 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane is sourced from PubChem (CID 139252236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).