trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one

C15H18O2 — CID 134963153

IUPACtrans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
SMILESC=CC[C@]1(c2ccc(OC)cc2)C[C@@H](C)C1=O
InChIInChI=1S/C15H18O2/c1-4-9-15(10-11(2)14(15)16)12-5-7-13(17-3)8-6-12/h4-8,11H,1,9-10H2,2-3H3/t11-,15-/m1/s1
InChIKeyFCPUZVQFZGSFHW-IAQYHMDHSA-N
MW230.31 g/mol
LogP3.12
Rot. Bonds4

About trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one

trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one (PubChem CID 134963153) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one.

Molecular Properties

Compound Nametrans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
PubChem CID134963153
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nametrans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
SMILESC=CC[C@]1(c2ccc(OC)cc2)C[C@@H](C)C1=O
InChIInChI=1S/C15H18O2/c1-4-9-15(10-11(2)14(15)16)12-5-7-13(17-3)8-6-12/h4-8,11H,1,9-10H2,2-3H3/t11-,15-/m1/s1
InChIKeyFCPUZVQFZGSFHW-IAQYHMDHSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
CID 135043755
4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
CID 172756052
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
(4aR)-7-methoxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68835490
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
(6S,7S)-7-ethenyl-6-(4-methoxyphenyl)-5-thia-1-azabicyclo[4.2.0]octan-8-one
CID 10492656
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one?
The IUPAC name of trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one (CID 134963153) is trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one.
What is the SMILES notation for trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one?
The canonical SMILES for trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one is C=CC[C@]1(c2ccc(OC)cc2)C[C@@H](C)C1=O.
What is the InChIKey of trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one?
The InChIKey is FCPUZVQFZGSFHW-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-9-15(10-11(2)14(15)16)12-5-7-13(17-3)8-6-12/h4-8,11H,1,9-10H2,2-3H3/t11-,15-/m1/s1.
What are the key properties of trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one?
trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one is sourced from PubChem (CID 134963153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).