CID 142556210

C11H13BO3 — CID 142556210

IUPAC—
SMILES[B]c1ccc(OCC2(CO)COC2)cc1
InChIInChI=1S/C11H13BO3/c12-9-1-3-10(4-2-9)15-8-11(5-13)6-14-7-11/h1-4,13H,5-8H2
InChIKeyIVFYNGDEPACAOB-UHFFFAOYSA-N
MW204.03 g/mol
LogP-0.13
Rot. Bonds4

About CID 142556210

CID 142556210 (PubChem CID 142556210) has the molecular formula C11H13BO3 and a molecular weight of 204.03 g/mol.

Molecular Properties

Compound NameCID 142556210
PubChem CID142556210
Molecular FormulaC11H13BO3
Molecular Weight204.03 g/mol
Exact Mass204.10
IUPAC Name—
SMILES[B]c1ccc(OCC2(CO)COC2)cc1
InChIInChI=1S/C11H13BO3/c12-9-1-3-10(4-2-9)15-8-11(5-13)6-14-7-11/h1-4,13H,5-8H2
InChIKeyIVFYNGDEPACAOB-UHFFFAOYSA-N
XLogP-0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632
[3-[[2',6,7'-tris[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-9,9'-spirobi[fluorene]-3-yl]oxymethyl]oxetan-3-yl]methanol
CID 178028834
1-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]ethanone
CID 111975975
(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
CID 160629568
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
CID 111975884
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
CID 59386218
[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol
CID 109395254
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol
CID 126837351

Frequently Asked Questions

What is the IUPAC name of CID 142556210?
The IUPAC name of CID 142556210 (CID 142556210) is not available.
What is the SMILES notation for CID 142556210?
The canonical SMILES for CID 142556210 is [B]c1ccc(OCC2(CO)COC2)cc1.
What is the InChIKey of CID 142556210?
The InChIKey is IVFYNGDEPACAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BO3/c12-9-1-3-10(4-2-9)15-8-11(5-13)6-14-7-11/h1-4,13H,5-8H2.
What are the key properties of CID 142556210?
CID 142556210 has a molecular weight of 204.03 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142556210 is sourced from PubChem (CID 142556210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).