CID 156645550

C8H9BO — CID 156645550

IUPAC—
SMILES[B]c1cc(O)ccc1CC
InChIInChI=1S/C8H9BO/c1-2-6-3-4-7(10)5-8(6)9/h3-5,10H,2H2,1H3
InChIKeyVEAHNALGLKAIRN-UHFFFAOYSA-N
MW131.97 g/mol
LogP0.75
Rot. Bonds1

About CID 156645550

CID 156645550 (PubChem CID 156645550) has the molecular formula C8H9BO and a molecular weight of 131.97 g/mol.

Molecular Properties

Compound NameCID 156645550
PubChem CID156645550
Molecular FormulaC8H9BO
Molecular Weight131.97 g/mol
Exact Mass132.07
IUPAC Name—
SMILES[B]c1cc(O)ccc1CC
InChIInChI=1S/C8H9BO/c1-2-6-3-4-7(10)5-8(6)9/h3-5,10H,2H2,1H3
InChIKeyVEAHNALGLKAIRN-UHFFFAOYSA-N
XLogP0.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.97
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Hexestrol
CID 192197

Frequently Asked Questions

What is the IUPAC name of CID 156645550?
The IUPAC name of CID 156645550 (CID 156645550) is not available.
What is the SMILES notation for CID 156645550?
The canonical SMILES for CID 156645550 is [B]c1cc(O)ccc1CC.
What is the InChIKey of CID 156645550?
The InChIKey is VEAHNALGLKAIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO/c1-2-6-3-4-7(10)5-8(6)9/h3-5,10H,2H2,1H3.
What are the key properties of CID 156645550?
CID 156645550 has a molecular weight of 131.97 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156645550 is sourced from PubChem (CID 156645550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).