4-methyl-1-naphthalen-1-ylpent-4-en-1-one

C16H16O — CID 114473529

IUPAC4-methyl-1-naphthalen-1-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,1,10-11H2,2H3
InChIKeyQWCWYTLRZWHNNB-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.38
Rot. Bonds4

About 4-methyl-1-naphthalen-1-ylpent-4-en-1-one

4-methyl-1-naphthalen-1-ylpent-4-en-1-one (PubChem CID 114473529) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methyl-1-naphthalen-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-naphthalen-1-ylpent-4-en-1-one
PubChem CID114473529
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-methyl-1-naphthalen-1-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,1,10-11H2,2H3
InChIKeyQWCWYTLRZWHNNB-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
CID 157326026
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-naphthalen-1-ylpent-4-en-1-one?
The IUPAC name of 4-methyl-1-naphthalen-1-ylpent-4-en-1-one (CID 114473529) is 4-methyl-1-naphthalen-1-ylpent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-naphthalen-1-ylpent-4-en-1-one?
The canonical SMILES for 4-methyl-1-naphthalen-1-ylpent-4-en-1-one is C=C(C)CCC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-methyl-1-naphthalen-1-ylpent-4-en-1-one?
The InChIKey is QWCWYTLRZWHNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,1,10-11H2,2H3.
What are the key properties of 4-methyl-1-naphthalen-1-ylpent-4-en-1-one?
4-methyl-1-naphthalen-1-ylpent-4-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-naphthalen-1-ylpent-4-en-1-one is sourced from PubChem (CID 114473529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).