2-(7-propylnaphthalen-2-yl)cyclopentan-1-one

C18H20O — CID 58610322

IUPAC2-(7-propylnaphthalen-2-yl)cyclopentan-1-one
SMILESCCCc1ccc2ccc(C3CCCC3=O)cc2c1
InChIInChI=1S/C18H20O/c1-2-4-13-7-8-14-9-10-15(12-16(14)11-13)17-5-3-6-18(17)19/h7-12,17H,2-6H2,1H3
InChIKeyXMDPWUPYSALVEY-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.63
Rot. Bonds3

About 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one

2-(7-propylnaphthalen-2-yl)cyclopentan-1-one (PubChem CID 58610322) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(7-propylnaphthalen-2-yl)cyclopentan-1-one
PubChem CID58610322
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-(7-propylnaphthalen-2-yl)cyclopentan-1-one
SMILESCCCc1ccc2ccc(C3CCCC3=O)cc2c1
InChIInChI=1S/C18H20O/c1-2-4-13-7-8-14-9-10-15(12-16(14)11-13)17-5-3-6-18(17)19/h7-12,17H,2-6H2,1H3
InChIKeyXMDPWUPYSALVEY-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
CID 22915889
2-(1-methylindol-5-yl)cyclohexan-1-one
CID 169324600
5-methyl-2-(4-propylphenyl)cyclohexan-1-one
CID 23041135
2-(4-bromo-3-chlorophenyl)cyclopentan-1-one
CID 130040614
(2R)-2-(4-methylphenyl)cyclohexan-1-one
CID 11030573
3-(4-propylphenyl)cyclohexan-1-one
CID 64521897
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
CID 21082585
2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
CID 112705489
2-methyl-7-propylnaphthalene
CID 59912073
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one
CID 131052588

Frequently Asked Questions

What is the IUPAC name of 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one (CID 58610322) is 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one is CCCc1ccc2ccc(C3CCCC3=O)cc2c1.
What is the InChIKey of 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one?
The InChIKey is XMDPWUPYSALVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-4-13-7-8-14-9-10-15(12-16(14)11-13)17-5-3-6-18(17)19/h7-12,17H,2-6H2,1H3.
What are the key properties of 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one?
2-(7-propylnaphthalen-2-yl)cyclopentan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propylnaphthalen-2-yl)cyclopentan-1-one is sourced from PubChem (CID 58610322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).