CID 147195893

C15H23BClO4 — CID 147195893

IUPAC—
SMILESCOCOc1c(C)ccc(Cl)c1[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C15H23BClO4/c1-10-7-8-11(17)12(13(10)20-9-19-6)16-21-15(4,5)14(2,3)18/h7-8,18H,9H2,1-6H3
InChIKeyZPAYGFNNZFPHSK-UHFFFAOYSA-N
MW313.61 g/mol
LogP2.44
Rot. Bonds7

About CID 147195893

CID 147195893 (PubChem CID 147195893) has the molecular formula C15H23BClO4 and a molecular weight of 313.61 g/mol.

Molecular Properties

Compound NameCID 147195893
PubChem CID147195893
Molecular FormulaC15H23BClO4
Molecular Weight313.61 g/mol
Exact Mass313.14
IUPAC Name—
SMILESCOCOc1c(C)ccc(Cl)c1[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C15H23BClO4/c1-10-7-8-11(17)12(13(10)20-9-19-6)16-21-15(4,5)14(2,3)18/h7-8,18H,9H2,1-6H3
InChIKeyZPAYGFNNZFPHSK-UHFFFAOYSA-N
XLogP2.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.61
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
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CID 148869351
CID 66587186
CID 66587186
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
CID 142406997
CID 142406997
CID 153293117
CID 153293117
CID 174009392
CID 174009392
CID 174026902
CID 174026902
1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene
CID 171367855
[2-(methoxymethoxy)-3-methylphenyl]boronic acid
CID 44517875
CID 156807715
CID 156807715
3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663

Frequently Asked Questions

What is the IUPAC name of CID 147195893?
The IUPAC name of CID 147195893 (CID 147195893) is not available.
What is the SMILES notation for CID 147195893?
The canonical SMILES for CID 147195893 is COCOc1c(C)ccc(Cl)c1[B]OC(C)(C)C(C)(C)O.
What is the InChIKey of CID 147195893?
The InChIKey is ZPAYGFNNZFPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BClO4/c1-10-7-8-11(17)12(13(10)20-9-19-6)16-21-15(4,5)14(2,3)18/h7-8,18H,9H2,1-6H3.
What are the key properties of CID 147195893?
CID 147195893 has a molecular weight of 313.61 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147195893 is sourced from PubChem (CID 147195893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).