CID 143834486

C11H14BO3 — CID 143834486

IUPAC—
SMILESO[B]c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H14BO3/c13-12-9-4-6-10(7-5-9)15-11-3-1-2-8-14-11/h4-7,11,13H,1-3,8H2
InChIKeyRHHMPEUNILUHEW-UHFFFAOYSA-N
MW205.04 g/mol
LogP0.83
Rot. Bonds3

About CID 143834486

CID 143834486 (PubChem CID 143834486) has the molecular formula C11H14BO3 and a molecular weight of 205.04 g/mol.

Molecular Properties

Compound NameCID 143834486
PubChem CID143834486
Molecular FormulaC11H14BO3
Molecular Weight205.04 g/mol
Exact Mass205.10
IUPAC Name—
SMILESO[B]c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H14BO3/c13-12-9-4-6-10(7-5-9)15-11-3-1-2-8-14-11/h4-7,11,13H,1-3,8H2
InChIKeyRHHMPEUNILUHEW-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 143834486 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

4-(oxan-2-yloxy)phenol
CID 11745519
4-(oxan-2-yloxy)benzoic acid
CID 11183645
CID 168763543
CID 168763543
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
lithium 2-(phenoxy)oxane
CID 22133362
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561

Frequently Asked Questions

What is the IUPAC name of CID 143834486?
The IUPAC name of CID 143834486 (CID 143834486) is not available.
What is the SMILES notation for CID 143834486?
The canonical SMILES for CID 143834486 is O[B]c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of CID 143834486?
The InChIKey is RHHMPEUNILUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BO3/c13-12-9-4-6-10(7-5-9)15-11-3-1-2-8-14-11/h4-7,11,13H,1-3,8H2.
What are the key properties of CID 143834486?
CID 143834486 has a molecular weight of 205.04 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143834486 is sourced from PubChem (CID 143834486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).