CID 177394176

C20H12O4 — CID 177394176

IUPAC—
SMILES[O]c1c(O)cc(-c2cc(O)c([O])c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12O4/c21-17-9-15(11-5-1-3-7-13(11)19(17)23)16-10-18(22)20(24)14-8-4-2-6-12(14)16/h1-10,21-22H
InChIKeyFHWBNUTUDBNMMQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP5.36
Rot. Bonds1

About CID 177394176

CID 177394176 (PubChem CID 177394176) has the molecular formula C20H12O4 and a molecular weight of 316.31 g/mol.

Molecular Properties

Compound NameCID 177394176
PubChem CID177394176
Molecular FormulaC20H12O4
Molecular Weight316.31 g/mol
Exact Mass316.07
IUPAC Name—
SMILES[O]c1c(O)cc(-c2cc(O)c([O])c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12O4/c21-17-9-15(11-5-1-3-7-13(11)19(17)23)16-10-18(22)20(24)14-8-4-2-6-12(14)16/h1-10,21-22H
InChIKeyFHWBNUTUDBNMMQ-UHFFFAOYSA-N
XLogP5.36
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.31
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 177394176?
The IUPAC name of CID 177394176 (CID 177394176) is not available.
What is the SMILES notation for CID 177394176?
The canonical SMILES for CID 177394176 is [O]c1c(O)cc(-c2cc(O)c([O])c3ccccc23)c2ccccc12.
What is the InChIKey of CID 177394176?
The InChIKey is FHWBNUTUDBNMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O4/c21-17-9-15(11-5-1-3-7-13(11)19(17)23)16-10-18(22)20(24)14-8-4-2-6-12(14)16/h1-10,21-22H.
What are the key properties of CID 177394176?
CID 177394176 has a molecular weight of 316.31 g/mol, XLogP of 5.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177394176 is sourced from PubChem (CID 177394176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).