7-(1,3-dihydroisoindol-2-yl)heptan-1-ol

C15H23NO — CID 165175514

IUPAC7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
SMILESOCCCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c17-11-7-3-1-2-6-10-16-12-14-8-4-5-9-15(14)13-16/h4-5,8-9,17H,1-3,6-7,10-13H2
InChIKeyMWPASJPLYJYWOH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds7

About 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol

7-(1,3-dihydroisoindol-2-yl)heptan-1-ol (PubChem CID 165175514) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
PubChem CID165175514
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
SMILESOCCCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c17-11-7-3-1-2-6-10-16-12-14-8-4-5-9-15(14)13-16/h4-5,8-9,17H,1-3,6-7,10-13H2
InChIKeyMWPASJPLYJYWOH-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(1,3-dihydroisoindol-2-yl)heptan-1-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 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol?
The IUPAC name of 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol (CID 165175514) is 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol.
What is the SMILES notation for 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol?
The canonical SMILES for 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol is OCCCCCCCN1Cc2ccccc2C1.
What is the InChIKey of 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol?
The InChIKey is MWPASJPLYJYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-11-7-3-1-2-6-10-16-12-14-8-4-5-9-15(14)13-16/h4-5,8-9,17H,1-3,6-7,10-13H2.
What are the key properties of 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol?
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dihydroisoindol-2-yl)heptan-1-ol is sourced from PubChem (CID 165175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).