(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol

C12H12O2 — CID 130631314

IUPAC(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol
SMILESC#CCOc1cccc2c1[C@H](O)CC2
InChIInChI=1S/C12H12O2/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h1,3-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyIVWBXHFUKPMMNY-SNVBAGLBSA-N
MW188.23 g/mol
LogP1.68
Rot. Bonds2

About (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol

(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 130631314) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID130631314
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol
SMILESC#CCOc1cccc2c1[C@H](O)CC2
InChIInChI=1S/C12H12O2/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h1,3-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyIVWBXHFUKPMMNY-SNVBAGLBSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol 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

(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
7-propoxy-2,3-dihydro-1H-inden-1-ol
CID 126991757
(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate
CID 19864735
(2-prop-2-ynoxyphenyl) 2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 86955832
8-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709110
2,3-bis(prop-2-ynoxy)phenol
CID 139940757
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 15329434
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
5-prop-2-ynoxy-1,2-dihydronaphthalene
CID 159545401
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888

Frequently Asked Questions

What is the IUPAC name of (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol (CID 130631314) is (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol is C#CCOc1cccc2c1[C@H](O)CC2.
What is the InChIKey of (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IVWBXHFUKPMMNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h1,3-5,10,13H,6-8H2/t10-/m1/s1.
What are the key properties of (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol?
(1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-prop-2-ynoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 130631314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).