8-ethynyl-1-methylnaphthalen-2-ol

C13H10O — CID 174277605

IUPAC8-ethynyl-1-methylnaphthalen-2-ol
SMILESC#Cc1cccc2ccc(O)c(C)c12
InChIInChI=1S/C13H10O/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h1,4-8,14H,2H3
InChIKeyJLHOPFLGUXVCPQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.84
Rot. Bonds

About 8-ethynyl-1-methylnaphthalen-2-ol

8-ethynyl-1-methylnaphthalen-2-ol (PubChem CID 174277605) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-ethynyl-1-methylnaphthalen-2-ol.

Molecular Properties

Compound Name8-ethynyl-1-methylnaphthalen-2-ol
PubChem CID174277605
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name8-ethynyl-1-methylnaphthalen-2-ol
SMILESC#Cc1cccc2ccc(O)c(C)c12
InChIInChI=1S/C13H10O/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h1,4-8,14H,2H3
InChIKeyJLHOPFLGUXVCPQ-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.84
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 8-ethynyl-1-methylnaphthalen-2-ol?
The IUPAC name of 8-ethynyl-1-methylnaphthalen-2-ol (CID 174277605) is 8-ethynyl-1-methylnaphthalen-2-ol.
What is the SMILES notation for 8-ethynyl-1-methylnaphthalen-2-ol?
The canonical SMILES for 8-ethynyl-1-methylnaphthalen-2-ol is C#Cc1cccc2ccc(O)c(C)c12.
What is the InChIKey of 8-ethynyl-1-methylnaphthalen-2-ol?
The InChIKey is JLHOPFLGUXVCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h1,4-8,14H,2H3.
What are the key properties of 8-ethynyl-1-methylnaphthalen-2-ol?
8-ethynyl-1-methylnaphthalen-2-ol has a molecular weight of 182.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-1-methylnaphthalen-2-ol is sourced from PubChem (CID 174277605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).