[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid

C20H25BO2 — CID 170612242

IUPAC[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(B(O)O)cc3)ccc21
InChIInChI=1S/C20H25BO2/c1-19(2)11-12-20(3,4)18-13-15(7-10-17(18)19)14-5-8-16(9-6-14)21(22)23/h5-10,13,22-23H,11-12H2,1-4H3
InChIKeyYYFHJYQLDXBVNX-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.38
Rot. Bonds2

About [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid

[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid (PubChem CID 170612242) has the molecular formula C20H25BO2 and a molecular weight of 308.23 g/mol. Its IUPAC name is [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid
PubChem CID170612242
Molecular FormulaC20H25BO2
Molecular Weight308.23 g/mol
Exact Mass308.19
IUPAC Name[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(B(O)O)cc3)ccc21
InChIInChI=1S/C20H25BO2/c1-19(2)11-12-20(3,4)18-13-15(7-10-17(18)19)14-5-8-16(9-6-14)21(22)23/h5-10,13,22-23H,11-12H2,1-4H3
InChIKeyYYFHJYQLDXBVNX-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
CID 10353857
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 170942414
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
(1,1-dimethylinden-5-yl)boronic acid
CID 142411779
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501

Frequently Asked Questions

What is the IUPAC name of [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid (CID 170612242) is [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid is CC1(C)CCC(C)(C)c2cc(-c3ccc(B(O)O)cc3)ccc21.
What is the InChIKey of [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid?
The InChIKey is YYFHJYQLDXBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BO2/c1-19(2)11-12-20(3,4)18-13-15(7-10-17(18)19)14-5-8-16(9-6-14)21(22)23/h5-10,13,22-23H,11-12H2,1-4H3.
What are the key properties of [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid?
[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid has a molecular weight of 308.23 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid is sourced from PubChem (CID 170612242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).