1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one

C13H10O2 — CID 154150476

IUPAC1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C13H10O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h2-8,15H,1H2
InChIKeyJHWLKAIOYVLDCB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one

1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one (PubChem CID 154150476) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
PubChem CID154150476
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C13H10O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h2-8,15H,1H2
InChIKeyJHWLKAIOYVLDCB-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one (CID 154150476) is 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one is C=CC(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one?
The InChIKey is JHWLKAIOYVLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h2-8,15H,1H2.
What are the key properties of 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one?
1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one is sourced from PubChem (CID 154150476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).