8-ethynyl-1-propan-2-ylnaphthalen-2-ol

C15H14O — CID 171748302

IUPAC8-ethynyl-1-propan-2-ylnaphthalen-2-ol
SMILESC#Cc1cccc2ccc(O)c(C(C)C)c12
InChIInChI=1S/C15H14O/c1-4-11-6-5-7-12-8-9-13(16)14(10(2)3)15(11)12/h1,5-10,16H,2-3H3
InChIKeyOMIIXSHSTBFBEM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.65
Rot. Bonds1

About 8-ethynyl-1-propan-2-ylnaphthalen-2-ol

8-ethynyl-1-propan-2-ylnaphthalen-2-ol (PubChem CID 171748302) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 8-ethynyl-1-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name8-ethynyl-1-propan-2-ylnaphthalen-2-ol
PubChem CID171748302
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name8-ethynyl-1-propan-2-ylnaphthalen-2-ol
SMILESC#Cc1cccc2ccc(O)c(C(C)C)c12
InChIInChI=1S/C15H14O/c1-4-11-6-5-7-12-8-9-13(16)14(10(2)3)15(11)12/h1,5-10,16H,2-3H3
InChIKeyOMIIXSHSTBFBEM-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.65
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

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CID 174277605
1-ethynyl-8-methylnaphthalene
CID 71370768
8-propan-2-ylnaphthalen-1-ol
CID 10465049
benzene;bis(propan-2-ol);bis(pyren-1-ol)
CID 158038310
4-tert-butyl-5-ethynylnaphthalen-2-ol
CID 167468671
1-ethynyl-6-[2-[8-[2-(6-ethynylpyren-1-yl)ethynyl]naphthalen-1-yl]ethynyl]pyrene
CID 102133431
8-ethynyl-2H-isoquinolin-1-one
CID 154728523
ethene-1,1,2,2-tetracarbonitrile;pyrene
CID 15821675
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
8-ethynyl-1-methylphthalazine
CID 167522439
bicyclo[2.2.0]hexa-1,3,5-triene;2-ethynylphenol
CID 22327927
8-sulfanylnaphthalene-1,2-diol
CID 142855011

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-1-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 8-ethynyl-1-propan-2-ylnaphthalen-2-ol (CID 171748302) is 8-ethynyl-1-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 8-ethynyl-1-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 8-ethynyl-1-propan-2-ylnaphthalen-2-ol is C#Cc1cccc2ccc(O)c(C(C)C)c12.
What is the InChIKey of 8-ethynyl-1-propan-2-ylnaphthalen-2-ol?
The InChIKey is OMIIXSHSTBFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-4-11-6-5-7-12-8-9-13(16)14(10(2)3)15(11)12/h1,5-10,16H,2-3H3.
What are the key properties of 8-ethynyl-1-propan-2-ylnaphthalen-2-ol?
8-ethynyl-1-propan-2-ylnaphthalen-2-ol has a molecular weight of 210.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-1-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 171748302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).