1-(1-naphthalen-2-ylcyclobutyl)propan-1-one

C17H18O — CID 174403861

IUPAC1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
SMILESCCC(=O)C1(c2ccc3ccccc3c2)CCC1
InChIInChI=1S/C17H18O/c1-2-16(18)17(10-5-11-17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyUYWHYRCVDUEZPV-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.24
Rot. Bonds3

About 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one

1-(1-naphthalen-2-ylcyclobutyl)propan-1-one (PubChem CID 174403861) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
PubChem CID174403861
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
SMILESCCC(=O)C1(c2ccc3ccccc3c2)CCC1
InChIInChI=1S/C17H18O/c1-2-16(18)17(10-5-11-17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyUYWHYRCVDUEZPV-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
CID 174424809
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
N-ethyl-N-methyl-1-naphthalen-2-ylcyclobutan-1-amine
CID 69397957
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
CID 116963948
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
2-(1-methylcyclopropyl)naphthalene
CID 10511657
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
2-ethyl-2-naphthalen-2-ylazepane
CID 79119079

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one?
The IUPAC name of 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one (CID 174403861) is 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one.
What is the SMILES notation for 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one?
The canonical SMILES for 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one is CCC(=O)C1(c2ccc3ccccc3c2)CCC1.
What is the InChIKey of 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one?
The InChIKey is UYWHYRCVDUEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-16(18)17(10-5-11-17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,2,5,10-11H2,1H3.
What are the key properties of 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one?
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylcyclobutyl)propan-1-one is sourced from PubChem (CID 174403861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).