(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol

C12H16O — CID 130614926

IUPAC(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
SMILESO[C@@H]1CCCCCc2ccccc21
InChIInChI=1S/C12H16O/c13-12-9-3-1-2-6-10-7-4-5-8-11(10)12/h4-5,7-8,12-13H,1-3,6,9H2/t12-/m1/s1
InChIKeyQXCINMTYMAIYDC-GFCCVEGCSA-N
MW176.26 g/mol
LogP2.84
Rot. Bonds

About (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol

(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol (PubChem CID 130614926) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol.

Molecular Properties

Compound Name(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
PubChem CID130614926
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
SMILESO[C@@H]1CCCCCc2ccccc21
InChIInChI=1S/C12H16O/c13-12-9-3-1-2-6-10-7-4-5-8-11(10)12/h4-5,7-8,12-13H,1-3,6,9H2/t12-/m1/s1
InChIKeyQXCINMTYMAIYDC-GFCCVEGCSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-7-ol
CID 135280990
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656

Frequently Asked Questions

What is the IUPAC name of (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The IUPAC name of (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol (CID 130614926) is (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol.
What is the SMILES notation for (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The canonical SMILES for (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol is O[C@@H]1CCCCCc2ccccc21.
What is the InChIKey of (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The InChIKey is QXCINMTYMAIYDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O/c13-12-9-3-1-2-6-10-7-4-5-8-11(10)12/h4-5,7-8,12-13H,1-3,6,9H2/t12-/m1/s1.
What are the key properties of (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol has a molecular weight of 176.26 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol is sourced from PubChem (CID 130614926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).