1-(2-methoxynaphthalen-1-yl)but-3-en-2-one

C15H14O2 — CID 139940505

IUPAC1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
SMILESC=CC(=O)Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C15H14O2/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2/h3-9H,1,10H2,2H3
InChIKeySSJFVTZIFRRSRF-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one

1-(2-methoxynaphthalen-1-yl)but-3-en-2-one (PubChem CID 139940505) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
PubChem CID139940505
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
SMILESC=CC(=O)Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C15H14O2/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2/h3-9H,1,10H2,2H3
InChIKeySSJFVTZIFRRSRF-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
CID 175155335
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
CID 62354053
2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
CID 7322221
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
phenanthrene;prop-2-enoic acid
CID 88600118
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one (CID 139940505) is 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one is C=CC(=O)Cc1c(OC)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one?
The InChIKey is SSJFVTZIFRRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2/h3-9H,1,10H2,2H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one?
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one has a molecular weight of 226.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)but-3-en-2-one is sourced from PubChem (CID 139940505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).