(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol

C34H36O5 — CID 11756568

IUPAC(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C34H36O5/c35-32-30(36-22-26-13-5-1-6-14-26)21-31(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(32)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31?,32-,33+,34+/m1/s1
InChIKeyWMWXBQJTCXRNQV-VBQYTDQYSA-N
MW524.66 g/mol
LogP6.09
Rot. Bonds12

About (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol

(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol (PubChem CID 11756568) has the molecular formula C34H36O5 and a molecular weight of 524.66 g/mol. Its IUPAC name is (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
PubChem CID11756568
Molecular FormulaC34H36O5
Molecular Weight524.66 g/mol
Exact Mass524.26
IUPAC Name(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C34H36O5/c35-32-30(36-22-26-13-5-1-6-14-26)21-31(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(32)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31?,32-,33+,34+/m1/s1
InChIKeyWMWXBQJTCXRNQV-VBQYTDQYSA-N
XLogP6.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol with MolForge

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Related Compounds

(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(1S,2R,3R,4R,6S)-2,4-bis(phenylmethoxy)-6-(phenylmethoxyamino)cyclohexane-1,3-diol
CID 15755845
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol (CID 11756568) is (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol is O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is WMWXBQJTCXRNQV-VBQYTDQYSA-N. The full InChI is InChI=1S/C34H36O5/c35-32-30(36-22-26-13-5-1-6-14-26)21-31(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(32)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31?,32-,33+,34+/m1/s1.
What are the key properties of (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol?
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 524.66 g/mol, XLogP of 6.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 11756568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).