6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C16H20O2 — CID 79428260

IUPAC6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1C1CCCC1O
InChIInChI=1S/C16H20O2/c17-15-10-4-8-13(15)14-9-3-6-11-5-1-2-7-12(11)16(14)18/h1-2,5,7,13-15,17H,3-4,6,8-10H2
InChIKeyHSPGLQKHMDCCQF-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.98
Rot. Bonds1

About 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 79428260) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID79428260
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1C1CCCC1O
InChIInChI=1S/C16H20O2/c17-15-10-4-8-13(15)14-9-3-6-11-5-1-2-7-12(11)16(14)18/h1-2,5,7,13-15,17H,3-4,6,8-10H2
InChIKeyHSPGLQKHMDCCQF-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
6-deuterio-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 11105878
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
(3aR,9S,9aS)-9-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]naphthalen-4-one
CID 10679542
6,7,8,13,14,15,16,17-octahydrocyclopenta[a]phenanthren-12-one
CID 598547
tert-butyl (2S)-2-[(6R)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl]pyrrolidine-1-carboxylate
CID 51688083
6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79429311
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
6-(2-methylidenebutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 66047163
4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexane-1,3-dione
CID 163897709
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 79428260) is 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1c2ccccc2CCCC1C1CCCC1O.
What is the InChIKey of 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is HSPGLQKHMDCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15-10-4-8-13(15)14-9-3-6-11-5-1-2-7-12(11)16(14)18/h1-2,5,7,13-15,17H,3-4,6,8-10H2.
What are the key properties of 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 244.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxycyclopentyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 79428260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).