3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol

C29H34O4 — CID 67824226

IUPAC3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
SMILESOCCCC1CC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O4/c30-18-10-17-26-19-27(31-20-23-11-4-1-5-12-23)29(33-22-25-15-8-3-9-16-25)28(26)32-21-24-13-6-2-7-14-24/h1-9,11-16,26-30H,10,17-22H2
InChIKeyZIOAZZUVVQEHBC-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.53
Rot. Bonds12

About 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol

3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol (PubChem CID 67824226) has the molecular formula C29H34O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol.

Molecular Properties

Compound Name3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
PubChem CID67824226
Molecular FormulaC29H34O4
Molecular Weight446.59 g/mol
Exact Mass446.25
IUPAC Name3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
SMILESOCCCC1CC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O4/c30-18-10-17-26-19-27(31-20-23-11-4-1-5-12-23)29(33-22-25-15-8-3-9-16-25)28(26)32-21-24-13-6-2-7-14-24/h1-9,11-16,26-30H,10,17-22H2
InChIKeyZIOAZZUVVQEHBC-UHFFFAOYSA-N
XLogP5.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
CID 101023558
3-[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxypropan-1-ol
CID 123313104
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
[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
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
CID 11228060
2-[[(3R,3aR,6S,6aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]ethanol
CID 146629320
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651

Frequently Asked Questions

What is the IUPAC name of 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol?
The IUPAC name of 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol (CID 67824226) is 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol.
What is the SMILES notation for 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol?
The canonical SMILES for 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol is OCCCC1CC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol?
The InChIKey is ZIOAZZUVVQEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O4/c30-18-10-17-26-19-27(31-20-23-11-4-1-5-12-23)29(33-22-25-15-8-3-9-16-25)28(26)32-21-24-13-6-2-7-14-24/h1-9,11-16,26-30H,10,17-22H2.
What are the key properties of 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol?
3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol has a molecular weight of 446.59 g/mol, XLogP of 5.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol is sourced from PubChem (CID 67824226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).