CID 156676198

C16H24BNO3 — CID 156676198

IUPAC—
SMILES[B][C@H]1CN(C(C)C)C[C@@](CO)(COCc2ccccc2)O1
InChIInChI=1S/C16H24BNO3/c1-13(2)18-8-15(17)21-16(10-18,11-19)12-20-9-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyXVUWCWXYCBXFCU-HZPDHXFCSA-N
MW289.18 g/mol
LogP1.17
Rot. Bonds6

About CID 156676198

CID 156676198 (PubChem CID 156676198) has the molecular formula C16H24BNO3 and a molecular weight of 289.18 g/mol.

Molecular Properties

Compound NameCID 156676198
PubChem CID156676198
Molecular FormulaC16H24BNO3
Molecular Weight289.18 g/mol
Exact Mass289.18
IUPAC Name—
SMILES[B][C@H]1CN(C(C)C)C[C@@](CO)(COCc2ccccc2)O1
InChIInChI=1S/C16H24BNO3/c1-13(2)18-8-15(17)21-16(10-18,11-19)12-20-9-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyXVUWCWXYCBXFCU-HZPDHXFCSA-N
XLogP1.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[1-(phenylmethoxymethyl)cyclopentyl]methanol
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CID 123841413
CID 123841413
3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
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(3E)-3-[5-methyl-3-(2-methylpropyl)hexylidene]-5,5-bis(phenylmethoxymethyl)oxolane-2-thione
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(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
(2R,4R)-2-methyl-2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxylic acid
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5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
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2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)-4-propan-2-ylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 155681132

Frequently Asked Questions

What is the IUPAC name of CID 156676198?
The IUPAC name of CID 156676198 (CID 156676198) is not available.
What is the SMILES notation for CID 156676198?
The canonical SMILES for CID 156676198 is [B][C@H]1CN(C(C)C)C[C@@](CO)(COCc2ccccc2)O1.
What is the InChIKey of CID 156676198?
The InChIKey is XVUWCWXYCBXFCU-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24BNO3/c1-13(2)18-8-15(17)21-16(10-18,11-19)12-20-9-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of CID 156676198?
CID 156676198 has a molecular weight of 289.18 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156676198 is sourced from PubChem (CID 156676198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).