tris(2,3-dihydro-1H-inden-1-ol);ethane

C29H36O3 — CID 19770523

IUPACtris(2,3-dihydro-1H-inden-1-ol);ethane
SMILESCC.OC1CCc2ccccc21.OC1CCc2ccccc21.OC1CCc2ccccc21
InChIInChI=1S/3C9H10O.C2H6/c3*10-9-6-5-7-3-1-2-4-8(7)9;1-2/h3*1-4,9-10H,5-6H2;1-2H3
InChIKeyCGZGCJJJIGHEFF-UHFFFAOYSA-N
MW432.60 g/mol
LogP6.02
Rot. Bonds

About tris(2,3-dihydro-1H-inden-1-ol);ethane

tris(2,3-dihydro-1H-inden-1-ol);ethane (PubChem CID 19770523) has the molecular formula C29H36O3 and a molecular weight of 432.60 g/mol. Its IUPAC name is tris(2,3-dihydro-1H-inden-1-ol);ethane.

Molecular Properties

Compound Nametris(2,3-dihydro-1H-inden-1-ol);ethane
PubChem CID19770523
Molecular FormulaC29H36O3
Molecular Weight432.60 g/mol
Exact Mass432.27
IUPAC Nametris(2,3-dihydro-1H-inden-1-ol);ethane
SMILESCC.OC1CCc2ccccc21.OC1CCc2ccccc21.OC1CCc2ccccc21
InChIInChI=1S/3C9H10O.C2H6/c3*10-9-6-5-7-3-1-2-4-8(7)9;1-2/h3*1-4,9-10H,5-6H2;1-2H3
InChIKeyCGZGCJJJIGHEFF-UHFFFAOYSA-N
XLogP6.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.60
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tris(2,3-dihydro-1H-inden-1-ol);ethane with MolForge

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

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
CID 135046561
CID 135046561
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290

Frequently Asked Questions

What is the IUPAC name of tris(2,3-dihydro-1H-inden-1-ol);ethane?
The IUPAC name of tris(2,3-dihydro-1H-inden-1-ol);ethane (CID 19770523) is tris(2,3-dihydro-1H-inden-1-ol);ethane.
What is the SMILES notation for tris(2,3-dihydro-1H-inden-1-ol);ethane?
The canonical SMILES for tris(2,3-dihydro-1H-inden-1-ol);ethane is CC.OC1CCc2ccccc21.OC1CCc2ccccc21.OC1CCc2ccccc21.
What is the InChIKey of tris(2,3-dihydro-1H-inden-1-ol);ethane?
The InChIKey is CGZGCJJJIGHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10O.C2H6/c3*10-9-6-5-7-3-1-2-4-8(7)9;1-2/h3*1-4,9-10H,5-6H2;1-2H3.
What are the key properties of tris(2,3-dihydro-1H-inden-1-ol);ethane?
tris(2,3-dihydro-1H-inden-1-ol);ethane has a molecular weight of 432.60 g/mol, XLogP of 6.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3-dihydro-1H-inden-1-ol);ethane is sourced from PubChem (CID 19770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).