2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C11H12O2 — CID 11959102

IUPAC2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(O)ccc21
InChIInChI=1S/C11H12O2/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7,12H,1-4H2
InChIKeyLCEJOJCDTXCOCR-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.30
Rot. Bonds

About 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 11959102) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID11959102
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(O)ccc21
InChIInChI=1S/C11H12O2/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7,12H,1-4H2
InChIKeyLCEJOJCDTXCOCR-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-isocyano-3,4-dihydro-2H-naphthalen-1-one
CID 20814711
9,10-dihydrophenanthren-2-ol;ethane
CID 91093084
5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
CID 167616172
2-(1-oxo-2,3-dihydroinden-5-yl)ethanethioic S-acid
CID 57468297
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate
CID 11098384
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
CID 13179501
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 11959102) is 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1CCCCc2cc(O)ccc21.
What is the InChIKey of 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is LCEJOJCDTXCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7,12H,1-4H2.
What are the key properties of 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 176.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 11959102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).