(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]

C17H16O — CID 44631374

IUPAC(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]
SMILESCCO[C@@H]1CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C17H16O/c1-2-18-16-11-17(16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16H,2,11H2,1H3/t16-/m1/s1
InChIKeySMGFQEURSSFQSW-MRXNPFEDSA-N
MW236.31 g/mol
LogP3.76
Rot. Bonds2

About (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]

(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene] (PubChem CID 44631374) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene].

Molecular Properties

Compound Name(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]
PubChem CID44631374
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]
SMILESCCO[C@@H]1CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C17H16O/c1-2-18-16-11-17(16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16H,2,11H2,1H3/t16-/m1/s1
InChIKeySMGFQEURSSFQSW-MRXNPFEDSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]?
The IUPAC name of (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene] (CID 44631374) is (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene].
What is the SMILES notation for (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]?
The canonical SMILES for (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene] is CCO[C@@H]1CC12c1ccccc1-c1ccccc12.
What is the InChIKey of (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]?
The InChIKey is SMGFQEURSSFQSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16O/c1-2-18-16-11-17(16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16H,2,11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene]?
(2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene] has a molecular weight of 236.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxyspiro[cyclopropane-1,9'-fluorene] is sourced from PubChem (CID 44631374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).