[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene

C32H29FO2 — CID 11784532

IUPAC[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene
SMILESFC1=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H29FO2/c33-30-21-26(22-31(30)34-23-25-13-5-1-6-14-25)24-35-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,26,31H,22-24H2/t26-,31+/m1/s1
InChIKeyYGCUBVWIKMIDDV-NEEKEDPPSA-N
MW464.58 g/mol
LogP7.45
Rot. Bonds9

About [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene

[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene (PubChem CID 11784532) has the molecular formula C32H29FO2 and a molecular weight of 464.58 g/mol. Its IUPAC name is [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene
PubChem CID11784532
Molecular FormulaC32H29FO2
Molecular Weight464.58 g/mol
Exact Mass464.22
IUPAC Name[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene
SMILESFC1=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C32H29FO2/c33-30-21-26(22-31(30)34-23-25-13-5-1-6-14-25)24-35-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,26,31H,22-24H2/t26-,31+/m1/s1
InChIKeyYGCUBVWIKMIDDV-NEEKEDPPSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(1S,4R)-4-(trityloxymethyl)cyclopent-2-en-1-ol
CID 10021190
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(3S)-3-phenylmethoxyazetidin-2-one
CID 10773649
4-(trityloxymethyl)cyclohex-2-ene-1,2-diol
CID 67634186
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3R,4S,5R,6R)-5-phenoxy-3,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-2-thiol
CID 87877938
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771

Frequently Asked Questions

What is the IUPAC name of [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene?
The IUPAC name of [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene (CID 11784532) is [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene.
What is the SMILES notation for [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene?
The canonical SMILES for [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene is FC1=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1OCc1ccccc1.
What is the InChIKey of [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene?
The InChIKey is YGCUBVWIKMIDDV-NEEKEDPPSA-N. The full InChI is InChI=1S/C32H29FO2/c33-30-21-26(22-31(30)34-23-25-13-5-1-6-14-25)24-35-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,26,31H,22-24H2/t26-,31+/m1/s1.
What are the key properties of [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene?
[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene has a molecular weight of 464.58 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene is sourced from PubChem (CID 11784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).