(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol

C19H20O2 — CID 155076011

IUPAC(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
SMILESCc1ccc2c(c1)C1(C[C@@H](O)[C@@H](O)C1)c1cc(C)ccc1-2
InChIInChI=1S/C19H20O2/c1-11-3-5-13-14-6-4-12(2)8-16(14)19(15(13)7-11)9-17(20)18(21)10-19/h3-8,17-18,20-21H,9-10H2,1-2H3/t17-,18+
InChIKeyFVYOWGXXCRIVBR-HDICACEKSA-N
MW280.37 g/mol
LogP3.09
Rot. Bonds

About (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol

(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol (PubChem CID 155076011) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
PubChem CID155076011
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
SMILESCc1ccc2c(c1)C1(C[C@@H](O)[C@@H](O)C1)c1cc(C)ccc1-2
InChIInChI=1S/C19H20O2/c1-11-3-5-13-14-6-4-12(2)8-16(14)19(15(13)7-11)9-17(20)18(21)10-19/h3-8,17-18,20-21H,9-10H2,1-2H3/t17-,18+
InChIKeyFVYOWGXXCRIVBR-HDICACEKSA-N
XLogP3.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol?
The IUPAC name of (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol (CID 155076011) is (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol.
What is the SMILES notation for (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol?
The canonical SMILES for (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol is Cc1ccc2c(c1)C1(C[C@@H](O)[C@@H](O)C1)c1cc(C)ccc1-2.
What is the InChIKey of (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol?
The InChIKey is FVYOWGXXCRIVBR-HDICACEKSA-N. The full InChI is InChI=1S/C19H20O2/c1-11-3-5-13-14-6-4-12(2)8-16(14)19(15(13)7-11)9-17(20)18(21)10-19/h3-8,17-18,20-21H,9-10H2,1-2H3/t17-,18+.
What are the key properties of (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol?
(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol has a molecular weight of 280.37 g/mol, XLogP of 3.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol is sourced from PubChem (CID 155076011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).