(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol

C15H22O3 — CID 114091316

IUPAC(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)COCCOc1ccc2c(c1)CC[C@H]2O
InChIInChI=1S/C15H22O3/c1-11(2)10-17-7-8-18-13-4-5-14-12(9-13)3-6-15(14)16/h4-5,9,11,15-16H,3,6-8,10H2,1-2H3/t15-/m1/s1
InChIKeyGQFYLWNMJDUPGB-OAHLLOKOSA-N
MW250.34 g/mol
LogP2.72
Rot. Bonds6

About (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol

(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 114091316) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID114091316
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)COCCOc1ccc2c(c1)CC[C@H]2O
InChIInChI=1S/C15H22O3/c1-11(2)10-17-7-8-18-13-4-5-14-12(9-13)3-6-15(14)16/h4-5,9,11,15-16H,3,6-8,10H2,1-2H3/t15-/m1/s1
InChIKeyGQFYLWNMJDUPGB-OAHLLOKOSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
5-(2-hydroxy-2-phenylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684824

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol (CID 114091316) is (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol is CC(C)COCCOc1ccc2c(c1)CC[C@H]2O.
What is the InChIKey of (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GQFYLWNMJDUPGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)10-17-7-8-18-13-4-5-14-12(9-13)3-6-15(14)16/h4-5,9,11,15-16H,3,6-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol?
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 114091316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).