2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid

C22H16O4 — CID 164982909

IUPAC2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid
SMILESC=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1cc(C)ccc1C(=O)O
InChIInChI=1S/C22H16O4/c1-12-3-6-15(22(24)25)18(9-12)21-16-7-4-13(2)10-19(16)26-20-11-14(23)5-8-17(20)21/h3-11,23H,2H2,1H3,(H,24,25)
InChIKeySTYAHXBEBQTDKJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.16
Rot. Bonds2

About 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid

2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid (PubChem CID 164982909) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid
PubChem CID164982909
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid
SMILESC=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1cc(C)ccc1C(=O)O
InChIInChI=1S/C22H16O4/c1-12-3-6-15(22(24)25)18(9-12)21-16-7-4-13(2)10-19(16)26-20-11-14(23)5-8-17(20)21/h3-11,23H,2H2,1H3,(H,24,25)
InChIKeySTYAHXBEBQTDKJ-UHFFFAOYSA-N
XLogP3.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid?
The IUPAC name of 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid (CID 164982909) is 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid.
What is the SMILES notation for 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid?
The canonical SMILES for 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid is C=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid?
The InChIKey is STYAHXBEBQTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-12-3-6-15(22(24)25)18(9-12)21-16-7-4-13(2)10-19(16)26-20-11-14(23)5-8-17(20)21/h3-11,23H,2H2,1H3,(H,24,25).
What are the key properties of 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid?
2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid has a molecular weight of 344.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-6-methylidenexanthen-9-yl)-4-methylbenzoic acid is sourced from PubChem (CID 164982909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).