4,5-bis(phenylmethoxy)cyclopent-2-en-1-one

C19H18O3 — CID 11098401

IUPAC4,5-bis(phenylmethoxy)cyclopent-2-en-1-one
SMILESO=C1C=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C19H18O3/c20-17-11-12-18(21-13-15-7-3-1-4-8-15)19(17)22-14-16-9-5-2-6-10-16/h1-12,18-19H,13-14H2
InChIKeyXIRZIDZFSXBGAK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.30
Rot. Bonds6

About 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one

4,5-bis(phenylmethoxy)cyclopent-2-en-1-one (PubChem CID 11098401) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-bis(phenylmethoxy)cyclopent-2-en-1-one
PubChem CID11098401
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4,5-bis(phenylmethoxy)cyclopent-2-en-1-one
SMILESO=C1C=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C19H18O3/c20-17-11-12-18(21-13-15-7-3-1-4-8-15)19(17)22-14-16-9-5-2-6-10-16/h1-12,18-19H,13-14H2
InChIKeyXIRZIDZFSXBGAK-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxycyclopent-2-en-1-one
CID 99772660
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(2Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-6,6-dimethyl-4,8-bis(phenylmethoxy)cyclooct-2-en-1-one
CID 67817959
(1S,2S,6S,7R,10R)-10-phenylmethoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 10444926
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
CID 101115524
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
(3S,4S)-4-(2-phenylethyl)-3-phenylmethoxyoxetan-2-one
CID 15395993
(4S,5S)-4-methyl-5-(phenylmethoxymethyl)cyclopent-2-en-1-one
CID 58620301
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one?
The IUPAC name of 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one (CID 11098401) is 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one.
What is the SMILES notation for 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one?
The canonical SMILES for 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one is O=C1C=CC(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one?
The InChIKey is XIRZIDZFSXBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-17-11-12-18(21-13-15-7-3-1-4-8-15)19(17)22-14-16-9-5-2-6-10-16/h1-12,18-19H,13-14H2.
What are the key properties of 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one?
4,5-bis(phenylmethoxy)cyclopent-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(phenylmethoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 11098401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).