4-prop-2-ynoxynaphthalen-1-ol

C13H10O2 — CID 135353868

IUPAC4-prop-2-ynoxynaphthalen-1-ol
SMILESC#CCOc1ccc(O)c2ccccc12
InChIInChI=1S/C13H10O2/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h1,3-8,14H,9H2
InChIKeyNNSKTKMDWNJWQS-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.56
Rot. Bonds2

About 4-prop-2-ynoxynaphthalen-1-ol

4-prop-2-ynoxynaphthalen-1-ol (PubChem CID 135353868) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-prop-2-ynoxynaphthalen-1-ol.

Molecular Properties

Compound Name4-prop-2-ynoxynaphthalen-1-ol
PubChem CID135353868
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4-prop-2-ynoxynaphthalen-1-ol
SMILESC#CCOc1ccc(O)c2ccccc12
InChIInChI=1S/C13H10O2/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h1,3-8,14H,9H2
InChIKeyNNSKTKMDWNJWQS-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-prop-2-ynoxynaphthalen-1-ol?
The IUPAC name of 4-prop-2-ynoxynaphthalen-1-ol (CID 135353868) is 4-prop-2-ynoxynaphthalen-1-ol.
What is the SMILES notation for 4-prop-2-ynoxynaphthalen-1-ol?
The canonical SMILES for 4-prop-2-ynoxynaphthalen-1-ol is C#CCOc1ccc(O)c2ccccc12.
What is the InChIKey of 4-prop-2-ynoxynaphthalen-1-ol?
The InChIKey is NNSKTKMDWNJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h1,3-8,14H,9H2.
What are the key properties of 4-prop-2-ynoxynaphthalen-1-ol?
4-prop-2-ynoxynaphthalen-1-ol has a molecular weight of 198.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxynaphthalen-1-ol is sourced from PubChem (CID 135353868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).