4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one

C16H15FO2 — CID 54428353

IUPAC4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one
SMILESCOc1ccc2cc(C(C)=CC(C)=O)cc(F)c2c1
InChIInChI=1S/C16H15FO2/c1-10(6-11(2)18)13-7-12-4-5-14(19-3)9-15(12)16(17)8-13/h4-9H,1-3H3
InChIKeyWFSTYHISIQGAFN-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.98
Rot. Bonds3

About 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one

4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one (PubChem CID 54428353) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one
PubChem CID54428353
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one
SMILESCOc1ccc2cc(C(C)=CC(C)=O)cc(F)c2c1
InChIInChI=1S/C16H15FO2/c1-10(6-11(2)18)13-7-12-4-5-14(19-3)9-15(12)16(17)8-13/h4-9H,1-3H3
InChIKeyWFSTYHISIQGAFN-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.98
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

methyl (E)-3-[4-fluoro-3-(4-methoxyphenyl)phenyl]but-2-enoate
CID 82543563
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one?
The IUPAC name of 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one (CID 54428353) is 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one.
What is the SMILES notation for 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one?
The canonical SMILES for 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one is COc1ccc2cc(C(C)=CC(C)=O)cc(F)c2c1.
What is the InChIKey of 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one?
The InChIKey is WFSTYHISIQGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10(6-11(2)18)13-7-12-4-5-14(19-3)9-15(12)16(17)8-13/h4-9H,1-3H3.
What are the key properties of 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one?
4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one has a molecular weight of 258.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one is sourced from PubChem (CID 54428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).