CID 10317317

C22H27ClO3 — CID 10317317

IUPAC—
SMILESClc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H27ClO3/c23-20-3-1-16(2-4-20)17-5-7-21(8-6-17)24-22(26-25-21)18-10-14-9-15(12-18)13-19(22)11-14/h1-4,14-15,17-19H,5-13H2
InChIKeySCPOTGFSWCBMDJ-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.82
Rot. Bonds1

About CID 10317317

CID 10317317 (PubChem CID 10317317) has the molecular formula C22H27ClO3 and a molecular weight of 374.91 g/mol.

Molecular Properties

Compound NameCID 10317317
PubChem CID10317317
Molecular FormulaC22H27ClO3
Molecular Weight374.91 g/mol
Exact Mass374.16
IUPAC Name—
SMILESClc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H27ClO3/c23-20-3-1-16(2-4-20)17-5-7-21(8-6-17)24-22(26-25-21)18-10-14-9-15(12-18)13-19(22)11-14/h1-4,14-15,17-19H,5-13H2
InChIKeySCPOTGFSWCBMDJ-UHFFFAOYSA-N
XLogP5.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10317317?
The IUPAC name of CID 10317317 (CID 10317317) is not available.
What is the SMILES notation for CID 10317317?
The canonical SMILES for CID 10317317 is Clc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 10317317?
The InChIKey is SCPOTGFSWCBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClO3/c23-20-3-1-16(2-4-20)17-5-7-21(8-6-17)24-22(26-25-21)18-10-14-9-15(12-18)13-19(22)11-14/h1-4,14-15,17-19H,5-13H2.
What are the key properties of CID 10317317?
CID 10317317 has a molecular weight of 374.91 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10317317 is sourced from PubChem (CID 10317317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).