1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone

C15H12O2 — CID 15728034

IUPAC1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone
SMILESC#CCc1cc(C(C)=O)c(O)c2ccccc12
InChIInChI=1S/C15H12O2/c1-3-6-11-9-14(10(2)16)15(17)13-8-5-4-7-12(11)13/h1,4-5,7-9,17H,6H2,2H3
InChIKeyKBVLHOBZGHLWKV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.92
Rot. Bonds2

About 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone

1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone (PubChem CID 15728034) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone
PubChem CID15728034
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone
SMILESC#CCc1cc(C(C)=O)c(O)c2ccccc12
InChIInChI=1S/C15H12O2/c1-3-6-11-9-14(10(2)16)15(17)13-8-5-4-7-12(11)13/h1,4-5,7-9,17H,6H2,2H3
InChIKeyKBVLHOBZGHLWKV-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.92
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 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone (CID 15728034) is 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone is C#CCc1cc(C(C)=O)c(O)c2ccccc12.
What is the InChIKey of 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone?
The InChIKey is KBVLHOBZGHLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-6-11-9-14(10(2)16)15(17)13-8-5-4-7-12(11)13/h1,4-5,7-9,17H,6H2,2H3.
What are the key properties of 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone?
1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-prop-2-ynylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 15728034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).