CID 69201774

C20H26BO4 — CID 69201774

IUPAC—
SMILESCCCOc1ccc(O[B]Oc2ccc(OCCC)c(C)c2)cc1C
InChIInChI=1S/C20H26BO4/c1-5-11-22-19-9-7-17(13-15(19)3)24-21-25-18-8-10-20(16(4)14-18)23-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyLZXHTQAXTHAGLW-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.87
Rot. Bonds10

About CID 69201774

CID 69201774 (PubChem CID 69201774) has the molecular formula C20H26BO4 and a molecular weight of 341.24 g/mol.

Molecular Properties

Compound NameCID 69201774
PubChem CID69201774
Molecular FormulaC20H26BO4
Molecular Weight341.24 g/mol
Exact Mass341.19
IUPAC Name—
SMILESCCCOc1ccc(O[B]Oc2ccc(OCCC)c(C)c2)cc1C
InChIInChI=1S/C20H26BO4/c1-5-11-22-19-9-7-17(13-15(19)3)24-21-25-18-8-10-20(16(4)14-18)23-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyLZXHTQAXTHAGLW-UHFFFAOYSA-N
XLogP4.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(3-methyl-4-propoxyphenyl) borate
CID 70231539
CID 57052705
CID 57052705
2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
CID 123497187
1,2-dimethyl-4-propoxybenzene
CID 23549082
(3-methyl-4-propoxyphenyl)methylidenehydrazine
CID 168529274
1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
CID 142841816
5-ethyl-1H-imidazole;4-methoxy-2-methyl-1-propoxybenzene
CID 143737660
1-tert-butyl-2-methyl-4-propoxybenzene
CID 170076191
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane
CID 137329614
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144

Frequently Asked Questions

What is the IUPAC name of CID 69201774?
The IUPAC name of CID 69201774 (CID 69201774) is not available.
What is the SMILES notation for CID 69201774?
The canonical SMILES for CID 69201774 is CCCOc1ccc(O[B]Oc2ccc(OCCC)c(C)c2)cc1C.
What is the InChIKey of CID 69201774?
The InChIKey is LZXHTQAXTHAGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BO4/c1-5-11-22-19-9-7-17(13-15(19)3)24-21-25-18-8-10-20(16(4)14-18)23-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of CID 69201774?
CID 69201774 has a molecular weight of 341.24 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69201774 is sourced from PubChem (CID 69201774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).