1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol

C12H12O2 — CID 79374777

IUPAC1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
SMILESC#CC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C12H12O2/c1-3-12(13)7-6-9-4-5-10(14-2)8-11(9)12/h1,4-5,8,13H,6-7H2,2H3
InChIKeyYNYSUKKVBSQTCO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.46
Rot. Bonds1

About 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol

1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79374777) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79374777
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
SMILESC#CC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C12H12O2/c1-3-12(13)7-6-9-4-5-10(14-2)8-11(9)12/h1,4-5,8,13H,6-7H2,2H3
InChIKeyYNYSUKKVBSQTCO-UHFFFAOYSA-N
XLogP1.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
CID 124511846
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
CID 79368874
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
6-methoxy-1-pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 79375065
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol (CID 79374777) is 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol is C#CC1(O)CCc2ccc(OC)cc21.
What is the InChIKey of 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is YNYSUKKVBSQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-12(13)7-6-9-4-5-10(14-2)8-11(9)12/h1,4-5,8,13H,6-7H2,2H3.
What are the key properties of 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol?
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).