[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol

C27H30O4 — CID 23245876

IUPAC[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
SMILESOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O4/c28-17-24-16-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25-,26-,27+/m0/s1
InChIKeyZMSKNQPIHQTTHV-YIPNQBBMSA-N
MW418.53 g/mol
LogP4.75
Rot. Bonds10

About [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol (PubChem CID 23245876) has the molecular formula C27H30O4 and a molecular weight of 418.53 g/mol. Its IUPAC name is [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
PubChem CID23245876
Molecular FormulaC27H30O4
Molecular Weight418.53 g/mol
Exact Mass418.21
IUPAC Name[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
SMILESOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O4/c28-17-24-16-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25-,26-,27+/m0/s1
InChIKeyZMSKNQPIHQTTHV-YIPNQBBMSA-N
XLogP4.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
CID 101023558
3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
CID 67824226
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
CID 11790849
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
CID 11228060
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol
CID 10316487
[(1R,2R,4S,5S,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]nonan-5-yl]methanol
CID 10021813

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol?
The IUPAC name of [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol (CID 23245876) is [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol?
The canonical SMILES for [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol is OC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol?
The InChIKey is ZMSKNQPIHQTTHV-YIPNQBBMSA-N. The full InChI is InChI=1S/C27H30O4/c28-17-24-16-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25-,26-,27+/m0/s1.
What are the key properties of [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol?
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol has a molecular weight of 418.53 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol is sourced from PubChem (CID 23245876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).