2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one

C15H20O — CID 112705489

IUPAC2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
SMILESCC(C)Cc1cccc(C2CCCC2=O)c1
InChIInChI=1S/C15H20O/c1-11(2)9-12-5-3-6-13(10-12)14-7-4-8-15(14)16/h3,5-6,10-11,14H,4,7-9H2,1-2H3
InChIKeyMHWXQAQZPNNLNN-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.72
Rot. Bonds3

About 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one

2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one (PubChem CID 112705489) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
PubChem CID112705489
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
SMILESCC(C)Cc1cccc(C2CCCC2=O)c1
InChIInChI=1S/C15H20O/c1-11(2)9-12-5-3-6-13(10-12)14-7-4-8-15(14)16/h3,5-6,10-11,14H,4,7-9H2,1-2H3
InChIKeyMHWXQAQZPNNLNN-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
CID 116545883
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190
3,4-dihydroxy-2-[3-(2-methylpropyl)phenyl]-2H-furan-5-one
CID 70132964
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
CID 116546483
2-(7-propylnaphthalen-2-yl)cyclopentan-1-one
CID 58610322
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one (CID 112705489) is 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one is CC(C)Cc1cccc(C2CCCC2=O)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one?
The InChIKey is MHWXQAQZPNNLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)9-12-5-3-6-13(10-12)14-7-4-8-15(14)16/h3,5-6,10-11,14H,4,7-9H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one?
2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 112705489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).