CID 142401703

C9H11BO — CID 142401703

IUPAC—
SMILES[B]C(C)COc1ccccc1
InChIInChI=1S/C9H11BO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyUIICIYVNXIMNJG-UHFFFAOYSA-N
MW146.00 g/mol
LogP2.04
Rot. Bonds3

About CID 142401703

CID 142401703 (PubChem CID 142401703) has the molecular formula C9H11BO and a molecular weight of 146.00 g/mol.

Molecular Properties

Compound NameCID 142401703
PubChem CID142401703
Molecular FormulaC9H11BO
Molecular Weight146.00 g/mol
Exact Mass146.09
IUPAC Name—
SMILES[B]C(C)COc1ccccc1
InChIInChI=1S/C9H11BO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyUIICIYVNXIMNJG-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
amino(1-phenoxypropan-2-yl)azanium
CID 20838095
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
acetic acid;1-phenoxypropan-2-ol
CID 68567525
2,5-dibromohexoxybenzene
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1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778

Frequently Asked Questions

What is the IUPAC name of CID 142401703?
The IUPAC name of CID 142401703 (CID 142401703) is not available.
What is the SMILES notation for CID 142401703?
The canonical SMILES for CID 142401703 is [B]C(C)COc1ccccc1.
What is the InChIKey of CID 142401703?
The InChIKey is UIICIYVNXIMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of CID 142401703?
CID 142401703 has a molecular weight of 146.00 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142401703 is sourced from PubChem (CID 142401703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).