7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one

C15H20O2 — CID 10955432

IUPAC7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one
SMILESCCCCCC1CC(=O)c2c(O)ccc(C)c21
InChIInChI=1S/C15H20O2/c1-3-4-5-6-11-9-13(17)15-12(16)8-7-10(2)14(11)15/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyXICDQCABPDASOA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.95
Rot. Bonds4

About 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one

7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one (PubChem CID 10955432) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one
PubChem CID10955432
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one
SMILESCCCCCC1CC(=O)c2c(O)ccc(C)c21
InChIInChI=1S/C15H20O2/c1-3-4-5-6-11-9-13(17)15-12(16)8-7-10(2)14(11)15/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyXICDQCABPDASOA-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one 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

8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 139973394
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
1-(butylamino)-4,8-dihydroxy-5-methylanthracene-9,10-dione
CID 123883482
3-hexyl-5-methyl-2,3-dihydroinden-1-one
CID 14895354
2-pentadecylcyclopropan-1-one
CID 70874004
(3R)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
CID 11012219
(4aR,9aR)-5,8-dihydroxy-2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
CID 98525501
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
4-undecylcyclopentane-1,2-dione
CID 54303237
3-hexyl-2-methylcyclobutene-1-carboxylic acid
CID 22131475
4-dodecyloxetan-2-one
CID 90110174

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one (CID 10955432) is 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one is CCCCCC1CC(=O)c2c(O)ccc(C)c21.
What is the InChIKey of 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one?
The InChIKey is XICDQCABPDASOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-5-6-11-9-13(17)15-12(16)8-7-10(2)14(11)15/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one?
7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 10955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).