CID 6334341

C26H20NaO6 — CID 6334341

IUPAC—
SMILESO=C(O)c1c(C(=O)O)c(OCc2ccccc2)c2ccccc2c1OCc1ccccc1.[Na]
InChIInChI=1S/C26H20O6.Na/c27-25(28)21-22(26(29)30)24(32-16-18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)31-15-17-9-3-1-4-10-17;/h1-14H,15-16H2,(H,27,28)(H,29,30);
InChIKeyYPKXACGVVMNIGY-UHFFFAOYSA-N
MW451.43 g/mol
LogP5.01
Rot. Bonds8

About CID 6334341

CID 6334341 (PubChem CID 6334341) has the molecular formula C26H20NaO6 and a molecular weight of 451.43 g/mol.

Molecular Properties

Compound NameCID 6334341
PubChem CID6334341
Molecular FormulaC26H20NaO6
Molecular Weight451.43 g/mol
Exact Mass451.12
IUPAC Name—
SMILESO=C(O)c1c(C(=O)O)c(OCc2ccccc2)c2ccccc2c1OCc1ccccc1.[Na]
InChIInChI=1S/C26H20O6.Na/c27-25(28)21-22(26(29)30)24(32-16-18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)31-15-17-9-3-1-4-10-17;/h1-14H,15-16H2,(H,27,28)(H,29,30);
InChIKeyYPKXACGVVMNIGY-UHFFFAOYSA-N
XLogP5.01
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
1-(dimethylcarbamoyl)-4-phenylmethoxyisoquinoline-3-carboxylic acid
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3,4-difluoro-2-phenylmethoxybenzoic acid
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4-phenylmethoxybenzoic acid
CID 68896574
2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
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2,3,5-trifluoro-4-phenylmethoxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 6334341?
The IUPAC name of CID 6334341 (CID 6334341) is not available.
What is the SMILES notation for CID 6334341?
The canonical SMILES for CID 6334341 is O=C(O)c1c(C(=O)O)c(OCc2ccccc2)c2ccccc2c1OCc1ccccc1.[Na].
What is the InChIKey of CID 6334341?
The InChIKey is YPKXACGVVMNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6.Na/c27-25(28)21-22(26(29)30)24(32-16-18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)31-15-17-9-3-1-4-10-17;/h1-14H,15-16H2,(H,27,28)(H,29,30);.
What are the key properties of CID 6334341?
CID 6334341 has a molecular weight of 451.43 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6334341 is sourced from PubChem (CID 6334341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).