CID 69190385

C9H10BO2 — CID 69190385

IUPAC—
SMILESC=CCO[B]Oc1ccccc1
InChIInChI=1S/C9H10BO2/c1-2-8-11-10-12-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyUAYKTGAVFYQDCG-UHFFFAOYSA-N
MW160.99 g/mol
LogP1.80
Rot. Bonds5

About CID 69190385

CID 69190385 (PubChem CID 69190385) has the molecular formula C9H10BO2 and a molecular weight of 160.99 g/mol.

Molecular Properties

Compound NameCID 69190385
PubChem CID69190385
Molecular FormulaC9H10BO2
Molecular Weight160.99 g/mol
Exact Mass161.08
IUPAC Name—
SMILESC=CCO[B]Oc1ccccc1
InChIInChI=1S/C9H10BO2/c1-2-8-11-10-12-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyUAYKTGAVFYQDCG-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.99
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Dibutyl phenyl phosphate
CID 17312
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Phenyl vinyl ether
CID 69840
Triphenyl borate
CID 14182
Dietholate
CID 36106
(3-hydroxyphenyl)boronic Acid
CID 2734359
4-Hydroxyphenylboronic acid
CID 2734360
(2-Hydroxyphenyl)boronic acid
CID 2773454
O-Phenylhydroxylamine
CID 2794249
Trimethylphenoxysilane
CID 73720

Frequently Asked Questions

What is the IUPAC name of CID 69190385?
The IUPAC name of CID 69190385 (CID 69190385) is not available.
What is the SMILES notation for CID 69190385?
The canonical SMILES for CID 69190385 is C=CCO[B]Oc1ccccc1.
What is the InChIKey of CID 69190385?
The InChIKey is UAYKTGAVFYQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BO2/c1-2-8-11-10-12-9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of CID 69190385?
CID 69190385 has a molecular weight of 160.99 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69190385 is sourced from PubChem (CID 69190385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).