9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid

C23H27NO7 — CID 67983888

IUPAC9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid
SMILESCOCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C23H27NO7/c1-29-8-9-31-11-10-30-7-6-24-22(26)15-2-4-17-18-5-3-16(23(27)28)13-20(18)21(14-25)19(17)12-15/h2-5,12-13,21,25H,6-11,14H2,1H3,(H,24,26)(H,27,28)
InChIKeyNKZFWVBVLFPWFS-UHFFFAOYSA-N
MW429.47 g/mol
LogP1.90
Rot. Bonds12

About 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid

9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid (PubChem CID 67983888) has the molecular formula C23H27NO7 and a molecular weight of 429.47 g/mol. Its IUPAC name is 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid
PubChem CID67983888
Molecular FormulaC23H27NO7
Molecular Weight429.47 g/mol
Exact Mass429.18
IUPAC Name9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid
SMILESCOCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C23H27NO7/c1-29-8-9-31-11-10-30-7-6-24-22(26)15-2-4-17-18-5-3-16(23(27)28)13-20(18)21(14-25)19(17)12-15/h2-5,12-13,21,25H,6-11,14H2,1H3,(H,24,26)(H,27,28)
InChIKeyNKZFWVBVLFPWFS-UHFFFAOYSA-N
XLogP1.90
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid?
The IUPAC name of 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid (CID 67983888) is 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid is COCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1cc(C(=O)O)ccc1-2.
What is the InChIKey of 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid?
The InChIKey is NKZFWVBVLFPWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO7/c1-29-8-9-31-11-10-30-7-6-24-22(26)15-2-4-17-18-5-3-16(23(27)28)13-20(18)21(14-25)19(17)12-15/h2-5,12-13,21,25H,6-11,14H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid?
9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid has a molecular weight of 429.47 g/mol, XLogP of 1.90, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 67983888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).