5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one

C16H20O3 — CID 107684183

IUPAC5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OC3CCCCCC3O)ccc21
InChIInChI=1S/C16H20O3/c17-14-9-6-11-10-12(7-8-13(11)14)19-16-5-3-1-2-4-15(16)18/h7-8,10,15-16,18H,1-6,9H2
InChIKeyVXRWNYSLCKQLMF-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.89
Rot. Bonds2

About 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one

5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one (PubChem CID 107684183) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
PubChem CID107684183
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OC3CCCCCC3O)ccc21
InChIInChI=1S/C16H20O3/c17-14-9-6-11-10-12(7-8-13(11)14)19-16-5-3-1-2-4-15(16)18/h7-8,10,15-16,18H,1-6,9H2
InChIKeyVXRWNYSLCKQLMF-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
CID 172549961
5-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-2,3-dihydroinden-1-one
CID 107684093
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
trans-(1R,2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentan-1-ol
CID 102735479
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
6-(1,3-dimethylazepan-4-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 21287296
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one (CID 107684183) is 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one is O=C1CCc2cc(OC3CCCCCC3O)ccc21.
What is the InChIKey of 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one?
The InChIKey is VXRWNYSLCKQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-14-9-6-11-10-12(7-8-13(11)14)19-16-5-3-1-2-4-15(16)18/h7-8,10,15-16,18H,1-6,9H2.
What are the key properties of 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one?
5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one has a molecular weight of 260.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).