(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C15H22O — CID 79014213

IUPAC(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCc1ccc(CC)c2c1CCCC[C@@H]2O
InChIInChI=1S/C15H22O/c1-3-11-9-10-12(4-2)15-13(11)7-5-6-8-14(15)16/h9-10,14,16H,3-8H2,1-2H3/t14-/m0/s1
InChIKeyFARTYMZFDJRKPB-AWEZNQCLSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds2

About (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 79014213) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID79014213
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCc1ccc(CC)c2c1CCCC[C@@H]2O
InChIInChI=1S/C15H22O/c1-3-11-9-10-12(4-2)15-13(11)7-5-6-8-14(15)16/h9-10,14,16H,3-8H2,1-2H3/t14-/m0/s1
InChIKeyFARTYMZFDJRKPB-AWEZNQCLSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 79014213) is (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CCc1ccc(CC)c2c1CCCC[C@@H]2O.
What is the InChIKey of (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is FARTYMZFDJRKPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O/c1-3-11-9-10-12(4-2)15-13(11)7-5-6-8-14(15)16/h9-10,14,16H,3-8H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 218.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 79014213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).