5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C12H16O — CID 15751789

IUPAC5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCC1(O)CCCCc2ccccc21
InChIInChI=1S/C12H16O/c1-12(13)9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8,13H,4-5,7,9H2,1H3
InChIKeyZWZAXGQBIQTXDS-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.62
Rot. Bonds

About 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 15751789) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID15751789
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCC1(O)CCCCc2ccccc21
InChIInChI=1S/C12H16O/c1-12(13)9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8,13H,4-5,7,9H2,1H3
InChIKeyZWZAXGQBIQTXDS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 15751789) is 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CC1(O)CCCCc2ccccc21.
What is the InChIKey of 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is ZWZAXGQBIQTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12(13)9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8,13H,4-5,7,9H2,1H3.
What are the key properties of 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 176.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 15751789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).