CID 147423801

C12H15B — CID 147423801

IUPAC—
SMILES[B]C1(C)CCc2ccccc2CC1
InChIInChI=1S/C12H15B/c1-12(13)8-6-10-4-2-3-5-11(10)7-9-12/h2-5H,6-9H2,1H3
InChIKeyCXZDBJNYTNHHEI-UHFFFAOYSA-N
MW170.06 g/mol
LogP2.91
Rot. Bonds

About CID 147423801

CID 147423801 (PubChem CID 147423801) has the molecular formula C12H15B and a molecular weight of 170.06 g/mol.

Molecular Properties

Compound NameCID 147423801
PubChem CID147423801
Molecular FormulaC12H15B
Molecular Weight170.06 g/mol
Exact Mass170.13
IUPAC Name—
SMILES[B]C1(C)CCc2ccccc2CC1
InChIInChI=1S/C12H15B/c1-12(13)8-6-10-4-2-3-5-11(10)7-9-12/h2-5H,6-9H2,1H3
InChIKeyCXZDBJNYTNHHEI-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 147423801 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

2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 138040145
1,2,3,4-tetrahydronaphthalene
CID 174531863
spiro[1,3-dithiolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
CID 23270639
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
2,3-dihydro-1H-indene;methane
CID 158581717
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466

Frequently Asked Questions

What is the IUPAC name of CID 147423801?
The IUPAC name of CID 147423801 (CID 147423801) is not available.
What is the SMILES notation for CID 147423801?
The canonical SMILES for CID 147423801 is [B]C1(C)CCc2ccccc2CC1.
What is the InChIKey of CID 147423801?
The InChIKey is CXZDBJNYTNHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15B/c1-12(13)8-6-10-4-2-3-5-11(10)7-9-12/h2-5H,6-9H2,1H3.
What are the key properties of CID 147423801?
CID 147423801 has a molecular weight of 170.06 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147423801 is sourced from PubChem (CID 147423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).