trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one

C14H18O — CID 102302633

IUPACtrans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one
SMILESC[C@H]1C(=O)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C14H18O/c1-11-13(9-10-14(11)15)8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyMFIFLTJHHLUUQP-YPMHNXCESA-N
MW202.30 g/mol
LogP3.23
Rot. Bonds3

About trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one

trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one (PubChem CID 102302633) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one
PubChem CID102302633
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Nametrans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one
SMILESC[C@H]1C(=O)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C14H18O/c1-11-13(9-10-14(11)15)8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyMFIFLTJHHLUUQP-YPMHNXCESA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
CID 124509063
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
cis-(2R,3R)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
CID 101065552
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one?
The IUPAC name of trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one (CID 102302633) is trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one.
What is the SMILES notation for trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one?
The canonical SMILES for trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one is C[C@H]1C(=O)CC[C@@H]1CCc1ccccc1.
What is the InChIKey of trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one?
The InChIKey is MFIFLTJHHLUUQP-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18O/c1-11-13(9-10-14(11)15)8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one?
trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one is sourced from PubChem (CID 102302633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).