1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid

C14H19BO2 — CID 142716441

IUPAC1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid
SMILESOB(O)c1cc2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C14H19BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h9,16-17H,1-8H2
InChIKeyUBHPTYFHNGNKTB-UHFFFAOYSA-N
MW230.12 g/mol
LogP1.12
Rot. Bonds1

About 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid

1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid (PubChem CID 142716441) has the molecular formula C14H19BO2 and a molecular weight of 230.12 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid
PubChem CID142716441
Molecular FormulaC14H19BO2
Molecular Weight230.12 g/mol
Exact Mass230.15
IUPAC Name1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid
SMILESOB(O)c1cc2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C14H19BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h9,16-17H,1-8H2
InChIKeyUBHPTYFHNGNKTB-UHFFFAOYSA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
CID 102314511
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
CID 71370155
CID 177084488
CID 177084488
ethane;4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 145378366
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 10679284
1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 54751722
2-fluoro-3-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 171787705
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
4-iodo-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 70563119
3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
CID 163969307
3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 149178517

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid?
The IUPAC name of 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid (CID 142716441) is 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid?
The canonical SMILES for 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid is OB(O)c1cc2c(c3c1CCCC3)CCCC2.
What is the InChIKey of 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid?
The InChIKey is UBHPTYFHNGNKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h9,16-17H,1-8H2.
What are the key properties of 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid?
1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid has a molecular weight of 230.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid is sourced from PubChem (CID 142716441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).