5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine

C18H21BO — CID 71198770

IUPAC5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine
SMILESCc1cc(C)c2c(c1)C(C)c1cc(C)cc(C)c1B2O
InChIInChI=1S/C18H21BO/c1-10-6-12(3)17-15(8-10)14(5)16-9-11(2)7-13(4)18(16)19(17)20/h6-9,14,20H,1-5H3
InChIKeyHEVUYFZVATWHLT-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.48
Rot. Bonds

About 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine

5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine (PubChem CID 71198770) has the molecular formula C18H21BO and a molecular weight of 264.18 g/mol. Its IUPAC name is 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine.

Molecular Properties

Compound Name5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine
PubChem CID71198770
Molecular FormulaC18H21BO
Molecular Weight264.18 g/mol
Exact Mass264.17
IUPAC Name5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine
SMILESCc1cc(C)c2c(c1)C(C)c1cc(C)cc(C)c1B2O
InChIInChI=1S/C18H21BO/c1-10-6-12(3)17-15(8-10)14(5)16-9-11(2)7-13(4)18(16)19(17)20/h6-9,14,20H,1-5H3
InChIKeyHEVUYFZVATWHLT-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine?
The IUPAC name of 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine (CID 71198770) is 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine.
What is the SMILES notation for 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine?
The canonical SMILES for 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine is Cc1cc(C)c2c(c1)C(C)c1cc(C)cc(C)c1B2O.
What is the InChIKey of 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine?
The InChIKey is HEVUYFZVATWHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BO/c1-10-6-12(3)17-15(8-10)14(5)16-9-11(2)7-13(4)18(16)19(17)20/h6-9,14,20H,1-5H3.
What are the key properties of 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine?
5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine has a molecular weight of 264.18 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4,6,8,10-pentamethyl-10H-benzo[b][1]benzoborinine is sourced from PubChem (CID 71198770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).