(4-methylphenyl)-(4-phenoxyphenyl)borinic acid

C19H17BO2 — CID 140548117

IUPAC(4-methylphenyl)-(4-phenoxyphenyl)borinic acid
SMILESCc1ccc(B(O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17BO2/c1-15-7-9-16(10-8-15)20(21)17-11-13-19(14-12-17)22-18-5-3-2-4-6-18/h2-14,21H,1H3
InChIKeyIQVMDXTWZFNMQT-UHFFFAOYSA-N
MW288.15 g/mol
LogP2.89
Rot. Bonds4

About (4-methylphenyl)-(4-phenoxyphenyl)borinic acid

(4-methylphenyl)-(4-phenoxyphenyl)borinic acid (PubChem CID 140548117) has the molecular formula C19H17BO2 and a molecular weight of 288.15 g/mol. Its IUPAC name is (4-methylphenyl)-(4-phenoxyphenyl)borinic acid.

Molecular Properties

Compound Name(4-methylphenyl)-(4-phenoxyphenyl)borinic acid
PubChem CID140548117
Molecular FormulaC19H17BO2
Molecular Weight288.15 g/mol
Exact Mass288.13
IUPAC Name(4-methylphenyl)-(4-phenoxyphenyl)borinic acid
SMILESCc1ccc(B(O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17BO2/c1-15-7-9-16(10-8-15)20(21)17-11-13-19(14-12-17)22-18-5-3-2-4-6-18/h2-14,21H,1H3
InChIKeyIQVMDXTWZFNMQT-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-phenylborinic acid
CID 143940886
bis(4-methylphenyl)borinic acid;methane
CID 158859792
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
[3-(4-methylphenoxy)phenyl]boronic acid
CID 163253669
boric acid;phenoxybenzene
CID 66799508
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
(4-methylphenyl)-[4-(2-phenylethoxymethyl)phenyl]borinic acid
CID 142235021

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-phenoxyphenyl)borinic acid?
The IUPAC name of (4-methylphenyl)-(4-phenoxyphenyl)borinic acid (CID 140548117) is (4-methylphenyl)-(4-phenoxyphenyl)borinic acid.
What is the SMILES notation for (4-methylphenyl)-(4-phenoxyphenyl)borinic acid?
The canonical SMILES for (4-methylphenyl)-(4-phenoxyphenyl)borinic acid is Cc1ccc(B(O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-phenoxyphenyl)borinic acid?
The InChIKey is IQVMDXTWZFNMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BO2/c1-15-7-9-16(10-8-15)20(21)17-11-13-19(14-12-17)22-18-5-3-2-4-6-18/h2-14,21H,1H3.
What are the key properties of (4-methylphenyl)-(4-phenoxyphenyl)borinic acid?
(4-methylphenyl)-(4-phenoxyphenyl)borinic acid has a molecular weight of 288.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-phenoxyphenyl)borinic acid is sourced from PubChem (CID 140548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).