2-cyclooctylchromen-4-one

C17H20O2 — CID 122213759

IUPAC2-cyclooctylchromen-4-one
SMILESO=c1cc(C2CCCCCCC2)oc2ccccc12
InChIInChI=1S/C17H20O2/c18-15-12-17(13-8-4-2-1-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-13H,1-5,8-9H2
InChIKeyHUWPWZSYOQBHKD-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.62
Rot. Bonds1

About 2-cyclooctylchromen-4-one

2-cyclooctylchromen-4-one (PubChem CID 122213759) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-cyclooctylchromen-4-one.

Molecular Properties

Compound Name2-cyclooctylchromen-4-one
PubChem CID122213759
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-cyclooctylchromen-4-one
SMILESO=c1cc(C2CCCCCCC2)oc2ccccc12
InChIInChI=1S/C17H20O2/c18-15-12-17(13-8-4-2-1-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-13H,1-5,8-9H2
InChIKeyHUWPWZSYOQBHKD-UHFFFAOYSA-N
XLogP4.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-3-yl)chromen-4-one
CID 175552746
2-cyclohexyldibenzofuran
CID 163628573
4-cyclohexyl-3-methylchromen-2-one
CID 11195874
cyclohexylmethyl 4-oxochromene-2-carboxylate
CID 769492
2-(2-chloro-4-methylpyrrolidin-3-yl)chromen-4-one
CID 118541406
2-cyclopropyl-1-benzofuran
CID 12528043
2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one
CID 90378683
2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium
CID 118174562
copper;2-phenylchromen-4-one
CID 175169427
2-(2H-chromen-2-yl)chromen-4-one
CID 175793106
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
2-(3-aminocyclohexyl)benzo[h]chromen-4-one
CID 155541219

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctylchromen-4-one?
The IUPAC name of 2-cyclooctylchromen-4-one (CID 122213759) is 2-cyclooctylchromen-4-one.
What is the SMILES notation for 2-cyclooctylchromen-4-one?
The canonical SMILES for 2-cyclooctylchromen-4-one is O=c1cc(C2CCCCCCC2)oc2ccccc12.
What is the InChIKey of 2-cyclooctylchromen-4-one?
The InChIKey is HUWPWZSYOQBHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-15-12-17(13-8-4-2-1-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-13H,1-5,8-9H2.
What are the key properties of 2-cyclooctylchromen-4-one?
2-cyclooctylchromen-4-one has a molecular weight of 256.34 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctylchromen-4-one is sourced from PubChem (CID 122213759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).