CID 164583252

C23H23BrO3 — CID 164583252

IUPAC—
SMILESBrC1=Cc2ccc(OCc3ccccc3)cc2C12CCC1(CC2)OCCO1
InChIInChI=1S/C23H23BrO3/c24-21-14-18-6-7-19(25-16-17-4-2-1-3-5-17)15-20(18)22(21)8-10-23(11-9-22)26-12-13-27-23/h1-7,14-15H,8-13,16H2
InChIKeyYLGJWDYCXCIKME-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.57
Rot. Bonds3

About CID 164583252

CID 164583252 (PubChem CID 164583252) has the molecular formula C23H23BrO3 and a molecular weight of 427.34 g/mol.

Molecular Properties

Compound NameCID 164583252
PubChem CID164583252
Molecular FormulaC23H23BrO3
Molecular Weight427.34 g/mol
Exact Mass426.08
IUPAC Name—
SMILESBrC1=Cc2ccc(OCc3ccccc3)cc2C12CCC1(CC2)OCCO1
InChIInChI=1S/C23H23BrO3/c24-21-14-18-6-7-19(25-16-17-4-2-1-3-5-17)15-20(18)22(21)8-10-23(11-9-22)26-12-13-27-23/h1-7,14-15H,8-13,16H2
InChIKeyYLGJWDYCXCIKME-UHFFFAOYSA-N
XLogP5.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 164583252?
The IUPAC name of CID 164583252 (CID 164583252) is not available.
What is the SMILES notation for CID 164583252?
The canonical SMILES for CID 164583252 is BrC1=Cc2ccc(OCc3ccccc3)cc2C12CCC1(CC2)OCCO1.
What is the InChIKey of CID 164583252?
The InChIKey is YLGJWDYCXCIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrO3/c24-21-14-18-6-7-19(25-16-17-4-2-1-3-5-17)15-20(18)22(21)8-10-23(11-9-22)26-12-13-27-23/h1-7,14-15H,8-13,16H2.
What are the key properties of CID 164583252?
CID 164583252 has a molecular weight of 427.34 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164583252 is sourced from PubChem (CID 164583252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).