(2-methyl-4-phenylmethoxyphenoxy)boronic acid

C14H15BO4 — CID 142688338

IUPAC(2-methyl-4-phenylmethoxyphenoxy)boronic acid
SMILESCc1cc(OCc2ccccc2)ccc1OB(O)O
InChIInChI=1S/C14H15BO4/c1-11-9-13(7-8-14(11)19-15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChIKeyTZAKTBCBHSSXGW-UHFFFAOYSA-N
MW258.08 g/mol
LogP1.92
Rot. Bonds5

About (2-methyl-4-phenylmethoxyphenoxy)boronic acid

(2-methyl-4-phenylmethoxyphenoxy)boronic acid (PubChem CID 142688338) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is (2-methyl-4-phenylmethoxyphenoxy)boronic acid.

Molecular Properties

Compound Name(2-methyl-4-phenylmethoxyphenoxy)boronic acid
PubChem CID142688338
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name(2-methyl-4-phenylmethoxyphenoxy)boronic acid
SMILESCc1cc(OCc2ccccc2)ccc1OB(O)O
InChIInChI=1S/C14H15BO4/c1-11-9-13(7-8-14(11)19-15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChIKeyTZAKTBCBHSSXGW-UHFFFAOYSA-N
XLogP1.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylmethoxyphenoxy)boronic acid?
The IUPAC name of (2-methyl-4-phenylmethoxyphenoxy)boronic acid (CID 142688338) is (2-methyl-4-phenylmethoxyphenoxy)boronic acid.
What is the SMILES notation for (2-methyl-4-phenylmethoxyphenoxy)boronic acid?
The canonical SMILES for (2-methyl-4-phenylmethoxyphenoxy)boronic acid is Cc1cc(OCc2ccccc2)ccc1OB(O)O.
What is the InChIKey of (2-methyl-4-phenylmethoxyphenoxy)boronic acid?
The InChIKey is TZAKTBCBHSSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-11-9-13(7-8-14(11)19-15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3.
What are the key properties of (2-methyl-4-phenylmethoxyphenoxy)boronic acid?
(2-methyl-4-phenylmethoxyphenoxy)boronic acid has a molecular weight of 258.08 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylmethoxyphenoxy)boronic acid is sourced from PubChem (CID 142688338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).