1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol

C13H18O2 — CID 162738830

IUPAC1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol
SMILESCC[C@@H]1Cc2ccccc2[C@@H]1OC(C)O
InChIInChI=1S/C13H18O2/c1-3-10-8-11-6-4-5-7-12(11)13(10)15-9(2)14/h4-7,9-10,13-14H,3,8H2,1-2H3/t9?,10-,13-/m1/s1
InChIKeyZNGCQCDDQUSVQP-SVLLLCHKSA-N
MW206.29 g/mol
LogP2.66
Rot. Bonds3

About 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol

1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol (PubChem CID 162738830) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol.

Molecular Properties

Compound Name1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol
PubChem CID162738830
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol
SMILESCC[C@@H]1Cc2ccccc2[C@@H]1OC(C)O
InChIInChI=1S/C13H18O2/c1-3-10-8-11-6-4-5-7-12(11)13(10)15-9(2)14/h4-7,9-10,13-14H,3,8H2,1-2H3/t9?,10-,13-/m1/s1
InChIKeyZNGCQCDDQUSVQP-SVLLLCHKSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol 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

(1R,2S)-2-ethyl-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 134490907
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(1R,2R)-2-ethyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130469930
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 143367533
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol?
The IUPAC name of 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol (CID 162738830) is 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol.
What is the SMILES notation for 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol?
The canonical SMILES for 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol is CC[C@@H]1Cc2ccccc2[C@@H]1OC(C)O.
What is the InChIKey of 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol?
The InChIKey is ZNGCQCDDQUSVQP-SVLLLCHKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-10-8-11-6-4-5-7-12(11)13(10)15-9(2)14/h4-7,9-10,13-14H,3,8H2,1-2H3/t9?,10-,13-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol?
1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol is sourced from PubChem (CID 162738830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).