5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol

C12H16O2 — CID 121014206

IUPAC5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
SMILESOC1CCCCc2ccccc2C1O
InChIInChI=1S/C12H16O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7,11-14H,2,4,6,8H2
InChIKeyPDYIEXRXYPOECR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds

About 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol

5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol (PubChem CID 121014206) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
PubChem CID121014206
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
SMILESOC1CCCCc2ccccc2C1O
InChIInChI=1S/C12H16O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7,11-14H,2,4,6,8H2
InChIKeyPDYIEXRXYPOECR-UHFFFAOYSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-7-ol
CID 135280990
methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
CID 140609234
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65320050

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol?
The IUPAC name of 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol (CID 121014206) is 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol?
The canonical SMILES for 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol is OC1CCCCc2ccccc2C1O.
What is the InChIKey of 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol?
The InChIKey is PDYIEXRXYPOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1,3,5,7,11-14H,2,4,6,8H2.
What are the key properties of 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol?
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol has a molecular weight of 192.26 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol is sourced from PubChem (CID 121014206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).