[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid

C11H17BO5 — CID 141056028

IUPAC[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
SMILESCCCOc1cc(OCOC)ccc1B(O)O
InChIInChI=1S/C11H17BO5/c1-3-6-16-11-7-9(17-8-15-2)4-5-10(11)12(13)14/h4-5,7,13-14H,3,6,8H2,1-2H3
InChIKeyBVBHZRUDAUVVNL-UHFFFAOYSA-N
MW240.06 g/mol
LogP0.14
Rot. Bonds7

About [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid

[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid (PubChem CID 141056028) has the molecular formula C11H17BO5 and a molecular weight of 240.06 g/mol. Its IUPAC name is [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
PubChem CID141056028
Molecular FormulaC11H17BO5
Molecular Weight240.06 g/mol
Exact Mass240.12
IUPAC Name[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
SMILESCCCOc1cc(OCOC)ccc1B(O)O
InChIInChI=1S/C11H17BO5/c1-3-6-16-11-7-9(17-8-15-2)4-5-10(11)12(13)14/h4-5,7,13-14H,3,6,8H2,1-2H3
InChIKeyBVBHZRUDAUVVNL-UHFFFAOYSA-N
XLogP0.14
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
(2-propoxyphenyl)boronic acid
CID 4219796
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
[4-cyano-2-(methoxymethoxy)phenyl]boronic acid
CID 170993970
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
1,4-bis(methoxymethoxy)benzene
CID 542643
(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)boronic acid
CID 22345469
[4-(methoxymethoxy)phenoxy]boronic acid
CID 54191014
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid?
The IUPAC name of [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid (CID 141056028) is [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid.
What is the SMILES notation for [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid?
The canonical SMILES for [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid is CCCOc1cc(OCOC)ccc1B(O)O.
What is the InChIKey of [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid?
The InChIKey is BVBHZRUDAUVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO5/c1-3-6-16-11-7-9(17-8-15-2)4-5-10(11)12(13)14/h4-5,7,13-14H,3,6,8H2,1-2H3.
What are the key properties of [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid?
[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid has a molecular weight of 240.06 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethoxy)-2-propoxyphenyl]boronic acid is sourced from PubChem (CID 141056028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).