dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane

C16H19BO3 — CID 174065392

IUPACdimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane
SMILESCOB(OC)c1ccc(C)c(OCc2ccccc2)c1
InChIInChI=1S/C16H19BO3/c1-13-9-10-15(17(18-2)19-3)11-16(13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyMDLXOQVNXBYBOJ-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.56
Rot. Bonds6

About dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane

dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane (PubChem CID 174065392) has the molecular formula C16H19BO3 and a molecular weight of 270.14 g/mol. Its IUPAC name is dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane.

Molecular Properties

Compound Namedimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane
PubChem CID174065392
Molecular FormulaC16H19BO3
Molecular Weight270.14 g/mol
Exact Mass270.14
IUPAC Namedimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane
SMILESCOB(OC)c1ccc(C)c(OCc2ccccc2)c1
InChIInChI=1S/C16H19BO3/c1-13-9-10-15(17(18-2)19-3)11-16(13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyMDLXOQVNXBYBOJ-UHFFFAOYSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.56
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

2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(4-methylsulfanyl-3-phenylmethoxyphenyl)boronic acid
CID 166604222
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane?
The IUPAC name of dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane (CID 174065392) is dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane.
What is the SMILES notation for dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane?
The canonical SMILES for dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane is COB(OC)c1ccc(C)c(OCc2ccccc2)c1.
What is the InChIKey of dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane?
The InChIKey is MDLXOQVNXBYBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO3/c1-13-9-10-15(17(18-2)19-3)11-16(13)20-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane?
dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane has a molecular weight of 270.14 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane is sourced from PubChem (CID 174065392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).