9H-fluoren-9-ylmethyl cyclohexanecarboxylate

C21H22O2 — CID 22102217

IUPAC9H-fluoren-9-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CCCCC1
InChIInChI=1S/C21H22O2/c22-21(15-8-2-1-3-9-15)23-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2
InChIKeyZSSNXKFBFRKHLL-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.92
Rot. Bonds3

About 9H-fluoren-9-ylmethyl cyclohexanecarboxylate

9H-fluoren-9-ylmethyl cyclohexanecarboxylate (PubChem CID 22102217) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl cyclohexanecarboxylate
PubChem CID22102217
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name9H-fluoren-9-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CCCCC1
InChIInChI=1S/C21H22O2/c22-21(15-8-2-1-3-9-15)23-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2
InChIKeyZSSNXKFBFRKHLL-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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9H-fluoren-9-ylmethyl carbamate;hydrochloride
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9H-fluoren-9-ylmethyl 2-bromoacetate
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CID 71433298
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl cyclohexanecarboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl cyclohexanecarboxylate (CID 22102217) is 9H-fluoren-9-ylmethyl cyclohexanecarboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl cyclohexanecarboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl cyclohexanecarboxylate is O=C(OCC1c2ccccc2-c2ccccc21)C1CCCCC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl cyclohexanecarboxylate?
The InChIKey is ZSSNXKFBFRKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c22-21(15-8-2-1-3-9-15)23-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2.
What are the key properties of 9H-fluoren-9-ylmethyl cyclohexanecarboxylate?
9H-fluoren-9-ylmethyl cyclohexanecarboxylate has a molecular weight of 306.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl cyclohexanecarboxylate is sourced from PubChem (CID 22102217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).