3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one

C19H18O — CID 154709861

IUPAC3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one
SMILESO=C(C#CC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h4-5,8-9,11-12,14-15H,1-3,6-7H2
InChIKeyYCTKEUADVIAZLF-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.61
Rot. Bonds1

About 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one

3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one (PubChem CID 154709861) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one
PubChem CID154709861
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one
SMILESO=C(C#CC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h4-5,8-9,11-12,14-15H,1-3,6-7H2
InChIKeyYCTKEUADVIAZLF-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-cyclohexyl-1-naphthalen-2-ylprop-2-ynylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 166438391
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one
CID 116825850
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
1-naphthalen-2-yl-2-(thiepan-1-ium-1-yl)ethanone
CID 142377238
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
potassium naphthalene-2-carboxylate
CID 23664129

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one?
The IUPAC name of 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one (CID 154709861) is 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one.
What is the SMILES notation for 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one?
The canonical SMILES for 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one is O=C(C#CC1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one?
The InChIKey is YCTKEUADVIAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h4-5,8-9,11-12,14-15H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one?
3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one is sourced from PubChem (CID 154709861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).