2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BClO3 — CID 171373977

IUPAC2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cccc(CB2OC(C)(C)C(C)(C)O2)c1Cl
InChIInChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)9-10-7-6-8-11(17-5)12(10)16/h6-8H,9H2,1-5H3
InChIKeySIRGQFQTAMOFTD-UHFFFAOYSA-N
MW282.58 g/mol
LogP3.52
Rot. Bonds3

About 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171373977) has the molecular formula C14H20BClO3 and a molecular weight of 282.58 g/mol. Its IUPAC name is 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171373977
Molecular FormulaC14H20BClO3
Molecular Weight282.58 g/mol
Exact Mass282.12
IUPAC Name2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cccc(CB2OC(C)(C)C(C)(C)O2)c1Cl
InChIInChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)9-10-7-6-8-11(17-5)12(10)16/h6-8H,9H2,1-5H3
InChIKeySIRGQFQTAMOFTD-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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

N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
methyl 4-methoxy-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate
CID 171373954
2-(2-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91800309
[(1R)-2-(2-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 135063391
[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 86222908
2-chloro-1-ethylsulfanyl-3-methoxybenzene
CID 91876115
3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
CID 101118969
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
CID 125472898
(S)-(2-methoxyphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191314
methyl 2-chloro-3-methoxybenzoate
CID 10262208
[4-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174780510

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171373977) is 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1cccc(CB2OC(C)(C)C(C)(C)O2)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SIRGQFQTAMOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)9-10-7-6-8-11(17-5)12(10)16/h6-8H,9H2,1-5H3.
What are the key properties of 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.58 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171373977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).