6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C13H18O — CID 79725685

IUPAC6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC1CCc2ccccc2C(O)C1C
InChIInChI=1S/C13H18O/c1-9-7-8-11-5-3-4-6-12(11)13(14)10(9)2/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyORAIWLVAYZKVIQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.94
Rot. Bonds

About 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 79725685) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID79725685
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC1CCc2ccccc2C(O)C1C
InChIInChI=1S/C13H18O/c1-9-7-8-11-5-3-4-6-12(11)13(14)10(9)2/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyORAIWLVAYZKVIQ-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102396750
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114596226
(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
CID 102162860

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 79725685) is 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CC1CCc2ccccc2C(O)C1C.
What is the InChIKey of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is ORAIWLVAYZKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-7-8-11-5-3-4-6-12(11)13(14)10(9)2/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 190.29 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 79725685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).