7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid

C18H15BO2 — CID 141414000

IUPAC7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2
InChIKeySZERENLAQLJWNZ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.29
Rot. Bonds1

About 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid

7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid (PubChem CID 141414000) has the molecular formula C18H15BO2 and a molecular weight of 274.13 g/mol. Its IUPAC name is 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid.

Molecular Properties

Compound Name7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
PubChem CID141414000
Molecular FormulaC18H15BO2
Molecular Weight274.13 g/mol
Exact Mass274.12
IUPAC Name7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2
InChIKeySZERENLAQLJWNZ-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The IUPAC name of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid (CID 141414000) is 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid.
What is the SMILES notation for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The canonical SMILES for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid is OB(O)c1cc2ccccc2c2c1CCc1ccccc1-2.
What is the InChIKey of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The InChIKey is SZERENLAQLJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2.
What are the key properties of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid has a molecular weight of 274.13 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid is sourced from PubChem (CID 141414000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).