2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BClO3 — CID 167715123

IUPAC2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyJYCJZAXNCFFCSD-UHFFFAOYSA-N
MW282.58 g/mol
LogP2.79
Rot. Bonds3

About 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 167715123) has the molecular formula C14H20BClO3 and a molecular weight of 282.58 g/mol. Its IUPAC name is 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID167715123
Molecular FormulaC14H20BClO3
Molecular Weight282.58 g/mol
Exact Mass282.12
IUPAC Name2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyJYCJZAXNCFFCSD-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 52.79
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

(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
[4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 56737744
2-(3-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 17750258
2-(4-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59882226
2-(3-Chlorophenyl)-2-methyloxirane
CID 62773763
2-[3-Fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67979405
2-(4-(1-Methoxyethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68594572
(2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
CID 75487013
5-Chloro-3-(hydroxymethyl)phenylboronic acid pinacol ester
CID 86812085
1-Chloro-3-(methoxymethyl)benzene
CID 13834379
(E)-2-(2-(Benzyloxy)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135073379
2-(4-((Allyloxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 75176004

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 167715123) is 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JYCJZAXNCFFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3.
What are the key properties of 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.58 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 167715123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).