[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane

C15H16BClO — CID 58430003

IUPAC[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(Oc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H16BClO/c1-11-4-7-14(10-15(11)17)18-13-8-5-12(6-9-13)16(2)3/h4-10H,1-3H3
InChIKeyLEDWDEMLBUJUMQ-UHFFFAOYSA-N
MW258.56 g/mol
LogP4.40
Rot. Bonds3

About [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane

[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane (PubChem CID 58430003) has the molecular formula C15H16BClO and a molecular weight of 258.56 g/mol. Its IUPAC name is [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane.

Molecular Properties

Compound Name[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
PubChem CID58430003
Molecular FormulaC15H16BClO
Molecular Weight258.56 g/mol
Exact Mass258.10
IUPAC Name[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(Oc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H16BClO/c1-11-4-7-14(10-15(11)17)18-13-8-5-12(6-9-13)16(2)3/h4-10H,1-3H3
InChIKeyLEDWDEMLBUJUMQ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
CID 58429995
(3-chloro-4-methylphenyl)-dimethylborane
CID 58436961
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
CID 160959342
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
bis(3-chloro-4-methylphenoxy)-oxophosphanium
CID 154133035
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
(3-chloro-4-methylphenyl) carbamate
CID 18431892
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
(3-chloro-4-methylphenoxy)methylhydrazine
CID 91621764
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
CID 67952517

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane?
The IUPAC name of [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane (CID 58430003) is [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane.
What is the SMILES notation for [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane?
The canonical SMILES for [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane is CB(C)c1ccc(Oc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane?
The InChIKey is LEDWDEMLBUJUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BClO/c1-11-4-7-14(10-15(11)17)18-13-8-5-12(6-9-13)16(2)3/h4-10H,1-3H3.
What are the key properties of [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane?
[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane has a molecular weight of 258.56 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane is sourced from PubChem (CID 58430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).