CID 87259164

C9H11BO — CID 87259164

IUPAC—
SMILES[B]c1cccc(COCC)c1
InChIInChI=1S/C9H11BO/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7H2,1H3
InChIKeyWXUIGQHCZNQUNC-UHFFFAOYSA-N
MW146.00 g/mol
LogP1.02
Rot. Bonds3

About CID 87259164

CID 87259164 (PubChem CID 87259164) has the molecular formula C9H11BO and a molecular weight of 146.00 g/mol.

Molecular Properties

Compound NameCID 87259164
PubChem CID87259164
Molecular FormulaC9H11BO
Molecular Weight146.00 g/mol
Exact Mass146.09
IUPAC Name—
SMILES[B]c1cccc(COCC)c1
InChIInChI=1S/C9H11BO/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7H2,1H3
InChIKeyWXUIGQHCZNQUNC-UHFFFAOYSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87259164 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

(213C)ethoxymethylbenzene
CID 87947851
1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
CID 134455223
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
2-(ethoxymethyl)naphthalene
CID 11063138
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
ethoxymethylbenzene;propylbenzene
CID 174975433
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene
CID 67352106

Frequently Asked Questions

What is the IUPAC name of CID 87259164?
The IUPAC name of CID 87259164 (CID 87259164) is not available.
What is the SMILES notation for CID 87259164?
The canonical SMILES for CID 87259164 is [B]c1cccc(COCC)c1.
What is the InChIKey of CID 87259164?
The InChIKey is WXUIGQHCZNQUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7H2,1H3.
What are the key properties of CID 87259164?
CID 87259164 has a molecular weight of 146.00 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87259164 is sourced from PubChem (CID 87259164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).