2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol

C16H24O — CID 114194197

IUPAC2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24O/c1-3-4-5-11-16(2,17)15-10-9-13-7-6-8-14(13)12-15/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyLRGHFLHNTPZDCM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.96
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol

2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol (PubChem CID 114194197) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
PubChem CID114194197
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24O/c1-3-4-5-11-16(2,17)15-10-9-13-7-6-8-14(13)12-15/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyLRGHFLHNTPZDCM-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
CID 114851831
3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
CID 112507670
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2-(4-methylphenyl)octan-2-ol
CID 65144778
2-(3-bromophenyl)nonan-2-ol
CID 65144812
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol (CID 114194197) is 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol is CCCCCC(C)(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol?
The InChIKey is LRGHFLHNTPZDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-5-11-16(2,17)15-10-9-13-7-6-8-14(13)12-15/h9-10,12,17H,3-8,11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol?
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol is sourced from PubChem (CID 114194197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).