CID 1294556

C21H24O4 — CID 1294556

IUPAC—
SMILESC[C@]12OC(=O)C3(CCCC3)[C@]1(c1ccccc1)OC(=O)C21CCCC1
InChIInChI=1S/C21H24O4/c1-18-19(11-5-6-12-19)16(22)25-21(18,15-9-3-2-4-10-15)20(17(23)24-18)13-7-8-14-20/h2-4,9-10H,5-8,11-14H2,1H3/t18-,21-/m1/s1
InChIKeyGSMZNQUVFNRMIV-WIYYLYMNSA-N
MW340.42 g/mol
LogP3.88
Rot. Bonds1

About CID 1294556

CID 1294556 (PubChem CID 1294556) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 1294556
PubChem CID1294556
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name—
SMILESC[C@]12OC(=O)C3(CCCC3)[C@]1(c1ccccc1)OC(=O)C21CCCC1
InChIInChI=1S/C21H24O4/c1-18-19(11-5-6-12-19)16(22)25-21(18,15-9-3-2-4-10-15)20(17(23)24-18)13-7-8-14-20/h2-4,9-10H,5-8,11-14H2,1H3/t18-,21-/m1/s1
InChIKeyGSMZNQUVFNRMIV-WIYYLYMNSA-N
XLogP3.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 1294556?
The IUPAC name of CID 1294556 (CID 1294556) is not available.
What is the SMILES notation for CID 1294556?
The canonical SMILES for CID 1294556 is C[C@]12OC(=O)C3(CCCC3)[C@]1(c1ccccc1)OC(=O)C21CCCC1.
What is the InChIKey of CID 1294556?
The InChIKey is GSMZNQUVFNRMIV-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H24O4/c1-18-19(11-5-6-12-19)16(22)25-21(18,15-9-3-2-4-10-15)20(17(23)24-18)13-7-8-14-20/h2-4,9-10H,5-8,11-14H2,1H3/t18-,21-/m1/s1.
What are the key properties of CID 1294556?
CID 1294556 has a molecular weight of 340.42 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 1294556 is sourced from PubChem (CID 1294556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).