CID 11365344

C24H24BrO2 — CID 11365344

IUPAC—
SMILESCC/C([C]1[CH][CH][CH][CH]1)=C(\c1ccc(O)cc1)c1ccc(OCCCBr)cc1
InChIInChI=1S/C24H24BrO2/c1-2-23(18-6-3-4-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-5-16-25/h3-4,6-15,26H,2,5,16-17H2,1H3/b24-23-
InChIKeyJOKIFQCPRBLWLQ-VHXPQNKSSA-N
MW424.36 g/mol
LogP6.17
Rot. Bonds8

About CID 11365344

CID 11365344 (PubChem CID 11365344) has the molecular formula C24H24BrO2 and a molecular weight of 424.36 g/mol.

Molecular Properties

Compound NameCID 11365344
PubChem CID11365344
Molecular FormulaC24H24BrO2
Molecular Weight424.36 g/mol
Exact Mass423.10
IUPAC Name—
SMILESCC/C([C]1[CH][CH][CH][CH]1)=C(\c1ccc(O)cc1)c1ccc(OCCCBr)cc1
InChIInChI=1S/C24H24BrO2/c1-2-23(18-6-3-4-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-5-16-25/h3-4,6-15,26H,2,5,16-17H2,1H3/b24-23-
InChIKeyJOKIFQCPRBLWLQ-VHXPQNKSSA-N
XLogP6.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.36
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11365344?
The IUPAC name of CID 11365344 (CID 11365344) is not available.
What is the SMILES notation for CID 11365344?
The canonical SMILES for CID 11365344 is CC/C([C]1[CH][CH][CH][CH]1)=C(\c1ccc(O)cc1)c1ccc(OCCCBr)cc1.
What is the InChIKey of CID 11365344?
The InChIKey is JOKIFQCPRBLWLQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H24BrO2/c1-2-23(18-6-3-4-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-5-16-25/h3-4,6-15,26H,2,5,16-17H2,1H3/b24-23-.
What are the key properties of CID 11365344?
CID 11365344 has a molecular weight of 424.36 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11365344 is sourced from PubChem (CID 11365344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).