CID 175753883

C20H21GeO4 — CID 175753883

IUPAC
SMILESCCc1cc(C(=O)[Ge])c(C(=O)c2ccc(OC)cc2)c(CC)c1OC
InChIInChI=1S/C20H21GeO4/c1-5-12-11-16(20(21)23)17(15(6-2)19(12)25-4)18(22)13-7-9-14(24-3)10-8-13/h7-11H,5-6H2,1-4H3
InChIKeyLRLRZQPVDIZOQZ-UHFFFAOYSA-N
MW397.99 g/mol
LogP3.37
Rot. Bonds7

About CID 175753883

CID 175753883 (PubChem CID 175753883) has the molecular formula C20H21GeO4 and a molecular weight of 397.99 g/mol.

Molecular Properties

Compound NameCID 175753883
PubChem CID175753883
Molecular FormulaC20H21GeO4
Molecular Weight397.99 g/mol
Exact Mass399.07
IUPAC Name
SMILESCCc1cc(C(=O)[Ge])c(C(=O)c2ccc(OC)cc2)c(CC)c1OC
InChIInChI=1S/C20H21GeO4/c1-5-12-11-16(20(21)23)17(15(6-2)19(12)25-4)18(22)13-7-9-14(24-3)10-8-13/h7-11H,5-6H2,1-4H3
InChIKeyLRLRZQPVDIZOQZ-UHFFFAOYSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.99
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175753883?
The IUPAC name of CID 175753883 (CID 175753883) is not available.
What is the SMILES notation for CID 175753883?
The canonical SMILES for CID 175753883 is CCc1cc(C(=O)[Ge])c(C(=O)c2ccc(OC)cc2)c(CC)c1OC.
What is the InChIKey of CID 175753883?
The InChIKey is LRLRZQPVDIZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21GeO4/c1-5-12-11-16(20(21)23)17(15(6-2)19(12)25-4)18(22)13-7-9-14(24-3)10-8-13/h7-11H,5-6H2,1-4H3.
What are the key properties of CID 175753883?
CID 175753883 has a molecular weight of 397.99 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175753883 is sourced from PubChem (CID 175753883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).