6-ethynyl-4-propan-2-ylnaphthalen-2-ol

C15H14O — CID 176748059

IUPAC6-ethynyl-4-propan-2-ylnaphthalen-2-ol
SMILESC#Cc1ccc2cc(O)cc(C(C)C)c2c1
InChIInChI=1S/C15H14O/c1-4-11-5-6-12-8-13(16)9-14(10(2)3)15(12)7-11/h1,5-10,16H,2-3H3
InChIKeyYDUKVAOFGZKFMU-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.65
Rot. Bonds1

About 6-ethynyl-4-propan-2-ylnaphthalen-2-ol

6-ethynyl-4-propan-2-ylnaphthalen-2-ol (PubChem CID 176748059) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-ethynyl-4-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name6-ethynyl-4-propan-2-ylnaphthalen-2-ol
PubChem CID176748059
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name6-ethynyl-4-propan-2-ylnaphthalen-2-ol
SMILESC#Cc1ccc2cc(O)cc(C(C)C)c2c1
InChIInChI=1S/C15H14O/c1-4-11-5-6-12-8-13(16)9-14(10(2)3)15(12)7-11/h1,5-10,16H,2-3H3
InChIKeyYDUKVAOFGZKFMU-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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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-4-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 6-ethynyl-4-propan-2-ylnaphthalen-2-ol (CID 176748059) is 6-ethynyl-4-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 6-ethynyl-4-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 6-ethynyl-4-propan-2-ylnaphthalen-2-ol is C#Cc1ccc2cc(O)cc(C(C)C)c2c1.
What is the InChIKey of 6-ethynyl-4-propan-2-ylnaphthalen-2-ol?
The InChIKey is YDUKVAOFGZKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-4-11-5-6-12-8-13(16)9-14(10(2)3)15(12)7-11/h1,5-10,16H,2-3H3.
What are the key properties of 6-ethynyl-4-propan-2-ylnaphthalen-2-ol?
6-ethynyl-4-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 6-ethynyl-4-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 176748059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).