CID 164581953

C22H23ClO2 — CID 164581953

IUPAC—
SMILESClc1ccc(C2Cc3ccccc3C23CCC2(CC3)OCCO2)cc1
InChIInChI=1S/C22H23ClO2/c23-18-7-5-16(6-8-18)20-15-17-3-1-2-4-19(17)21(20)9-11-22(12-10-21)24-13-14-25-22/h1-8,20H,9-15H2
InChIKeyXSSIMDZWRHGTFF-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.23
Rot. Bonds1

About CID 164581953

CID 164581953 (PubChem CID 164581953) has the molecular formula C22H23ClO2 and a molecular weight of 354.88 g/mol.

Molecular Properties

Compound NameCID 164581953
PubChem CID164581953
Molecular FormulaC22H23ClO2
Molecular Weight354.88 g/mol
Exact Mass354.14
IUPAC Name—
SMILESClc1ccc(C2Cc3ccccc3C23CCC2(CC3)OCCO2)cc1
InChIInChI=1S/C22H23ClO2/c23-18-7-5-16(6-8-18)20-15-17-3-1-2-4-19(17)21(20)9-11-22(12-10-21)24-13-14-25-22/h1-8,20H,9-15H2
InChIKeyXSSIMDZWRHGTFF-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 164581953 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 164581953?
The IUPAC name of CID 164581953 (CID 164581953) is not available.
What is the SMILES notation for CID 164581953?
The canonical SMILES for CID 164581953 is Clc1ccc(C2Cc3ccccc3C23CCC2(CC3)OCCO2)cc1.
What is the InChIKey of CID 164581953?
The InChIKey is XSSIMDZWRHGTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClO2/c23-18-7-5-16(6-8-18)20-15-17-3-1-2-4-19(17)21(20)9-11-22(12-10-21)24-13-14-25-22/h1-8,20H,9-15H2.
What are the key properties of CID 164581953?
CID 164581953 has a molecular weight of 354.88 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164581953 is sourced from PubChem (CID 164581953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).