2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H25BO3 — CID 153315416

IUPAC2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(C(C)B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3
InChIKeyAPMHUMFHVYDLSC-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.58
Rot. Bonds3

About 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 153315416) has the molecular formula C19H25BO3 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID153315416
Molecular FormulaC19H25BO3
Molecular Weight312.22 g/mol
Exact Mass312.19
IUPAC Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(C(C)B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3
InChIKeyAPMHUMFHVYDLSC-UHFFFAOYSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.58
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

2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174747907
2-[(Z)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177450927
(S)-(4-methoxyphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191324
2-[(1R,2R)-1-(4-methoxyphenyl)-1-phenylpropan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102503580
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenoxyphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477859
2-[1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145208991
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
2-[1-(4-methoxyphenyl)propan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102424460
2-[(1S)-1-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101011118
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
(S)-(2,4-dimethoxyphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191328

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 153315416) is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2cc(C(C)B3OC(C)(C)C(C)(C)O3)ccc2c1.
What is the InChIKey of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is APMHUMFHVYDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3.
What are the key properties of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 312.22 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 153315416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).