methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane

C16H21BO2 — CID 160959342

IUPACmethane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
SMILESC.COc1ccc(Oc2ccc(B(C)C)cc2)cc1
InChIInChI=1S/C15H17BO2.CH4/c1-16(2)12-4-6-14(7-5-12)18-15-10-8-13(17-3)9-11-15;/h4-11H,1-3H3;1H4
InChIKeySWURTLAGXLWJEI-UHFFFAOYSA-N
MW256.15 g/mol
LogP4.09
Rot. Bonds4

About methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane

methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane (PubChem CID 160959342) has the molecular formula C16H21BO2 and a molecular weight of 256.15 g/mol. Its IUPAC name is methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane.

Molecular Properties

Compound Namemethane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
PubChem CID160959342
Molecular FormulaC16H21BO2
Molecular Weight256.15 g/mol
Exact Mass256.16
IUPAC Namemethane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
SMILESC.COc1ccc(Oc2ccc(B(C)C)cc2)cc1
InChIInChI=1S/C15H17BO2.CH4/c1-16(2)12-4-6-14(7-5-12)18-15-10-8-13(17-3)9-11-15;/h4-11H,1-3H3;1H4
InChIKeySWURTLAGXLWJEI-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)phenyl]borane
CID 88897158
1-diaminoboranyl-4-methoxybenzene
CID 174068514
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
2,3-dimethylbutane-2,3-diol;(4-methoxyphenyl)boronic acid
CID 71116543
[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane
CID 21029034
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
2-(4-methoxyphenoxy)phenol
CID 54145402

Frequently Asked Questions

What is the IUPAC name of methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane?
The IUPAC name of methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane (CID 160959342) is methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane.
What is the SMILES notation for methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane?
The canonical SMILES for methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane is C.COc1ccc(Oc2ccc(B(C)C)cc2)cc1.
What is the InChIKey of methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane?
The InChIKey is SWURTLAGXLWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO2.CH4/c1-16(2)12-4-6-14(7-5-12)18-15-10-8-13(17-3)9-11-15;/h4-11H,1-3H3;1H4.
What are the key properties of methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane?
methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane has a molecular weight of 256.15 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane is sourced from PubChem (CID 160959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).