(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one

C17H22O3 — CID 10265364

IUPAC(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
SMILESCC1=C(CCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C17H22O3/c1-10-9-13-14(12(10)5-4-8-18)11(2)17(6-7-17)16(3,20)15(13)19/h9,18,20H,4-8H2,1-3H3/t16-/m0/s1
InChIKeyCKVNDCBCFHECLF-INIZCTEOSA-N
MW274.36 g/mol
LogP2.45
Rot. Bonds3

About (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one

(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one (PubChem CID 10265364) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one.

Molecular Properties

Compound Name(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
PubChem CID10265364
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
SMILESCC1=C(CCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C17H22O3/c1-10-9-13-14(12(10)5-4-8-18)11(2)17(6-7-17)16(3,20)15(13)19/h9,18,20H,4-8H2,1-3H3/t16-/m0/s1
InChIKeyCKVNDCBCFHECLF-INIZCTEOSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one?
The IUPAC name of (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one (CID 10265364) is (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one.
What is the SMILES notation for (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one?
The canonical SMILES for (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one is CC1=C(CCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1.
What is the InChIKey of (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one?
The InChIKey is CKVNDCBCFHECLF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22O3/c1-10-9-13-14(12(10)5-4-8-18)11(2)17(6-7-17)16(3,20)15(13)19/h9,18,20H,4-8H2,1-3H3/t16-/m0/s1.
What are the key properties of (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one?
(5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one has a molecular weight of 274.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R)-5'-hydroxy-1'-(3-hydroxypropyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one is sourced from PubChem (CID 10265364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).