9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate

C24H24O3 — CID 3600139

IUPAC9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C24H24O3/c25-22(23-10-15-9-16(11-23)13-24(26,12-15)14-23)27-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,26H,9-14H2
InChIKeyTWZCRFNBMLLPCL-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.63
Rot. Bonds2

About 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate

9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate (PubChem CID 3600139) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate
PubChem CID3600139
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C24H24O3/c25-22(23-10-15-9-16(11-23)13-24(26,12-15)14-23)27-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,26H,9-14H2
InChIKeyTWZCRFNBMLLPCL-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate (CID 3600139) is 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate is O=C(OC1c2ccccc2-c2ccccc21)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate?
The InChIKey is TWZCRFNBMLLPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c25-22(23-10-15-9-16(11-23)13-24(26,12-15)14-23)27-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,26H,9-14H2.
What are the key properties of 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate?
9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 3600139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).