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

C12H16O — CID 62943533

IUPAC7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC1CCc2ccccc2C(O)C1
InChIInChI=1S/C12H16O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeyFBVLWCLLLWYOTR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds

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

7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 62943533) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID62943533
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC1CCc2ccccc2C(O)C1
InChIInChI=1S/C12H16O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeyFBVLWCLLLWYOTR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 62943533) is 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CC1CCc2ccccc2C(O)C1.
What is the InChIKey of 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is FBVLWCLLLWYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 176.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 62943533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).