CID 89324729

C7H6B2O — CID 89324729

IUPAC—
SMILES[B]c1cc([B])c(O)c(C)c1
InChIInChI=1S/C7H6B2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKeyBVGJKJIQASGGDE-UHFFFAOYSA-N
MW127.75 g/mol
LogP-0.71
Rot. Bonds

About CID 89324729

CID 89324729 (PubChem CID 89324729) has the molecular formula C7H6B2O and a molecular weight of 127.75 g/mol.

Molecular Properties

Compound NameCID 89324729
PubChem CID89324729
Molecular FormulaC7H6B2O
Molecular Weight127.75 g/mol
Exact Mass128.06
IUPAC Name—
SMILES[B]c1cc([B])c(O)c(C)c1
InChIInChI=1S/C7H6B2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKeyBVGJKJIQASGGDE-UHFFFAOYSA-N
XLogP-0.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.75
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 89324729 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

CID 89379549
CID 89379549
CID 171820219
CID 171820219
CID 155745673
CID 155745673
CID 169114081
CID 169114081
4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol
CID 146303412
CID 142262389
CID 142262389
CID 145410580
CID 145410580
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenol
CID 87143094
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol
CID 59843656
CID 87540870
CID 87540870

Frequently Asked Questions

What is the IUPAC name of CID 89324729?
The IUPAC name of CID 89324729 (CID 89324729) is not available.
What is the SMILES notation for CID 89324729?
The canonical SMILES for CID 89324729 is [B]c1cc([B])c(O)c(C)c1.
What is the InChIKey of CID 89324729?
The InChIKey is BVGJKJIQASGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6B2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3.
What are the key properties of CID 89324729?
CID 89324729 has a molecular weight of 127.75 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89324729 is sourced from PubChem (CID 89324729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).