4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one

C15H14O3 — CID 70402211

IUPAC4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
SMILESC=CC(=O)C(O)COc1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-2-13(16)14(17)10-18-15-9-5-7-11-6-3-4-8-12(11)15/h2-9,14,17H,1,10H2
InChIKeyQCIDUZFJQJDVIX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.33
Rot. Bonds5

About 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one

4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one (PubChem CID 70402211) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one.

Molecular Properties

Compound Name4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
PubChem CID70402211
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
SMILESC=CC(=O)C(O)COc1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-2-13(16)14(17)10-18-15-9-5-7-11-6-3-4-8-12(11)15/h2-9,14,17H,1,10H2
InChIKeyQCIDUZFJQJDVIX-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
naphthalen-1-yl prop-2-enoate
CID 10192638
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate
CID 174959812
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one?
The IUPAC name of 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one (CID 70402211) is 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one.
What is the SMILES notation for 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one?
The canonical SMILES for 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one is C=CC(=O)C(O)COc1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one?
The InChIKey is QCIDUZFJQJDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-13(16)14(17)10-18-15-9-5-7-11-6-3-4-8-12(11)15/h2-9,14,17H,1,10H2.
What are the key properties of 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one?
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one has a molecular weight of 242.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one is sourced from PubChem (CID 70402211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).