3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one

C15H18O2 — CID 143485554

IUPAC3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one
SMILESO=C1CC(CC/C=C\OCc2ccccc2)C1
InChIInChI=1S/C15H18O2/c16-15-10-14(11-15)8-4-5-9-17-12-13-6-2-1-3-7-13/h1-3,5-7,9,14H,4,8,10-12H2/b9-5-
InChIKeyUZXYVMYJHPRHDI-UITAMQMPSA-N
MW230.31 g/mol
LogP3.48
Rot. Bonds6

About 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one

3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one (PubChem CID 143485554) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one
PubChem CID143485554
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one
SMILESO=C1CC(CC/C=C\OCc2ccccc2)C1
InChIInChI=1S/C15H18O2/c16-15-10-14(11-15)8-4-5-9-17-12-13-6-2-1-3-7-13/h1-3,5-7,9,14H,4,8,10-12H2/b9-5-
InChIKeyUZXYVMYJHPRHDI-UITAMQMPSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
2-(3-phenylmethoxyprop-2-enyl)oxirane
CID 91184163
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996
3-methylidene-8-(phenylmethoxymethoxy)bicyclo[3.2.1]octane;8-(phenylmethoxymethoxy)bicyclo[3.2.1]octan-3-one
CID 159124884
1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
CID 11346154
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one?
The IUPAC name of 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one (CID 143485554) is 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one.
What is the SMILES notation for 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one?
The canonical SMILES for 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one is O=C1CC(CC/C=C\OCc2ccccc2)C1.
What is the InChIKey of 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one?
The InChIKey is UZXYVMYJHPRHDI-UITAMQMPSA-N. The full InChI is InChI=1S/C15H18O2/c16-15-10-14(11-15)8-4-5-9-17-12-13-6-2-1-3-7-13/h1-3,5-7,9,14H,4,8,10-12H2/b9-5-.
What are the key properties of 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one?
3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one is sourced from PubChem (CID 143485554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).