2-prop-2-ynyl-3H-inden-1-ol

C12H10O — CID 134859831

IUPAC2-prop-2-ynyl-3H-inden-1-ol
SMILESC#CCC1=C(O)c2ccccc2C1
InChIInChI=1S/C12H10O/c1-2-5-10-8-9-6-3-4-7-11(9)12(10)13/h1,3-4,6-7,13H,5,8H2
InChIKeyBIGKFAASXFAKCT-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.54
Rot. Bonds1

About 2-prop-2-ynyl-3H-inden-1-ol

2-prop-2-ynyl-3H-inden-1-ol (PubChem CID 134859831) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-prop-2-ynyl-3H-inden-1-ol.

Molecular Properties

Compound Name2-prop-2-ynyl-3H-inden-1-ol
PubChem CID134859831
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name2-prop-2-ynyl-3H-inden-1-ol
SMILESC#CCC1=C(O)c2ccccc2C1
InChIInChI=1S/C12H10O/c1-2-5-10-8-9-6-3-4-7-11(9)12(10)13/h1,3-4,6-7,13H,5,8H2
InChIKeyBIGKFAASXFAKCT-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3H-indene-1,2-diol
CID 69341367
2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid
CID 135204848
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azane;hexakis(9H-fluorene)
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9H-fluorene;trihydrofluoride
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chromium;9H-fluorene
CID 161167703
dichlorotitanium;9H-fluorene
CID 174396064
butane-1,4-diol;9H-fluorene
CID 158933795
amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid
CID 138707985
ethene;9H-fluorene
CID 159544077
6-prop-2-ynyl-5,7-dihydrobenzo[d][2]benzazepine;hydrochloride
CID 3040228
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynyl-3H-inden-1-ol?
The IUPAC name of 2-prop-2-ynyl-3H-inden-1-ol (CID 134859831) is 2-prop-2-ynyl-3H-inden-1-ol.
What is the SMILES notation for 2-prop-2-ynyl-3H-inden-1-ol?
The canonical SMILES for 2-prop-2-ynyl-3H-inden-1-ol is C#CCC1=C(O)c2ccccc2C1.
What is the InChIKey of 2-prop-2-ynyl-3H-inden-1-ol?
The InChIKey is BIGKFAASXFAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-2-5-10-8-9-6-3-4-7-11(9)12(10)13/h1,3-4,6-7,13H,5,8H2.
What are the key properties of 2-prop-2-ynyl-3H-inden-1-ol?
2-prop-2-ynyl-3H-inden-1-ol has a molecular weight of 170.21 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyl-3H-inden-1-ol is sourced from PubChem (CID 134859831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).