[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol

C21H22O2 — CID 58112679

IUPAC[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol
SMILESOCC12CCC(CO)(CC1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O2/c22-13-19-9-10-20(14-23,12-11-19)21(19)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,22-23H,9-14H2
InChIKeyIYXRIFIDCVYKOH-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.50
Rot. Bonds2

About [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol

[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol (PubChem CID 58112679) has the molecular formula C21H22O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol
PubChem CID58112679
Molecular FormulaC21H22O2
Molecular Weight306.40 g/mol
Exact Mass306.16
IUPAC Name[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol
SMILESOCC12CCC(CO)(CC1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O2/c22-13-19-9-10-20(14-23,12-11-19)21(19)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,22-23H,9-14H2
InChIKeyIYXRIFIDCVYKOH-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol (CID 58112679) is [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol is OCC12CCC(CO)(CC1)C21c2ccccc2-c2ccccc21.
What is the InChIKey of [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol?
The InChIKey is IYXRIFIDCVYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c22-13-19-9-10-20(14-23,12-11-19)21(19)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,22-23H,9-14H2.
What are the key properties of [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol?
[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol has a molecular weight of 306.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol is sourced from PubChem (CID 58112679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).