[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid

C10H14BClO5 — CID 68977647

IUPAC[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid
SMILESCOc1ccc(CO[C@H](Cl)COB(O)O)cc1
InChIInChI=1S/C10H14BClO5/c1-15-9-4-2-8(3-5-9)6-16-10(12)7-17-11(13)14/h2-5,10,13-14H,6-7H2,1H3/t10-/m0/s1
InChIKeyGBJGGYRUFJTJAP-JTQLQIEISA-N
MW260.48 g/mol
LogP0.76
Rot. Bonds7

About [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid

[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid (PubChem CID 68977647) has the molecular formula C10H14BClO5 and a molecular weight of 260.48 g/mol. Its IUPAC name is [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid.

Molecular Properties

Compound Name[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid
PubChem CID68977647
Molecular FormulaC10H14BClO5
Molecular Weight260.48 g/mol
Exact Mass260.06
IUPAC Name[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid
SMILESCOc1ccc(CO[C@H](Cl)COB(O)O)cc1
InChIInChI=1S/C10H14BClO5/c1-15-9-4-2-8(3-5-9)6-16-10(12)7-17-11(13)14/h2-5,10,13-14H,6-7H2,1H3/t10-/m0/s1
InChIKeyGBJGGYRUFJTJAP-JTQLQIEISA-N
XLogP0.76
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris[(1R)-1-chloro-2-[(4-methoxyphenyl)methoxy]ethyl] borate
CID 68977646
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid?
The IUPAC name of [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid (CID 68977647) is [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid.
What is the SMILES notation for [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid?
The canonical SMILES for [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid is COc1ccc(CO[C@H](Cl)COB(O)O)cc1.
What is the InChIKey of [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid?
The InChIKey is GBJGGYRUFJTJAP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14BClO5/c1-15-9-4-2-8(3-5-9)6-16-10(12)7-17-11(13)14/h2-5,10,13-14H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid?
[(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid has a molecular weight of 260.48 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-chloro-2-[(4-methoxyphenyl)methoxy]ethoxy]boronic acid is sourced from PubChem (CID 68977647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).