CID 175155956

C18H24B2NO6 — CID 175155956

IUPAC—
SMILESCCCOc1cc(-c2cncc(C(CO)CB(O)O[B]O)c2)ccc1OC
InChIInChI=1S/C18H24B2NO6/c1-3-6-26-18-8-13(4-5-17(18)25-2)14-7-15(11-21-10-14)16(12-22)9-20(24)27-19-23/h4-5,7-8,10-11,16,22-24H,3,6,9,12H2,1-2H3
InChIKeyJBISEEXAFYELPG-UHFFFAOYSA-N
MW372.02 g/mol
LogP1.65
Rot. Bonds11

About CID 175155956

CID 175155956 (PubChem CID 175155956) has the molecular formula C18H24B2NO6 and a molecular weight of 372.02 g/mol.

Molecular Properties

Compound NameCID 175155956
PubChem CID175155956
Molecular FormulaC18H24B2NO6
Molecular Weight372.02 g/mol
Exact Mass372.18
IUPAC Name—
SMILESCCCOc1cc(-c2cncc(C(CO)CB(O)O[B]O)c2)ccc1OC
InChIInChI=1S/C18H24B2NO6/c1-3-6-26-18-8-13(4-5-17(18)25-2)14-7-15(11-21-10-14)16(12-22)9-20(24)27-19-23/h4-5,7-8,10-11,16,22-24H,3,6,9,12H2,1-2H3
InChIKeyJBISEEXAFYELPG-UHFFFAOYSA-N
XLogP1.65
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
CID 146460679
methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
CID 146460658
2-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]propan-1-ol
CID 153474615
3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
CID 153474628
[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane
CID 149129687
4-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]-2-methylpentan-2-ol
CID 153474619
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
tert-butyl-[2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoxy]-dimethylsilane
CID 151087109
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246

Frequently Asked Questions

What is the IUPAC name of CID 175155956?
The IUPAC name of CID 175155956 (CID 175155956) is not available.
What is the SMILES notation for CID 175155956?
The canonical SMILES for CID 175155956 is CCCOc1cc(-c2cncc(C(CO)CB(O)O[B]O)c2)ccc1OC.
What is the InChIKey of CID 175155956?
The InChIKey is JBISEEXAFYELPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24B2NO6/c1-3-6-26-18-8-13(4-5-17(18)25-2)14-7-15(11-21-10-14)16(12-22)9-20(24)27-19-23/h4-5,7-8,10-11,16,22-24H,3,6,9,12H2,1-2H3.
What are the key properties of CID 175155956?
CID 175155956 has a molecular weight of 372.02 g/mol, XLogP of 1.65, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175155956 is sourced from PubChem (CID 175155956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).