(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol

C28H32O5 — CID 10671161

IUPAC(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESCOC1C[C@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-30-25-17-24(29)26(31-18-21-11-5-2-6-12-21)28(33-20-23-15-9-4-10-16-23)27(25)32-19-22-13-7-3-8-14-22/h2-16,24-29H,17-20H2,1H3/t24-,25?,26+,27-,28-/m0/s1
InChIKeyUQUKKZWAUQVYTP-IRVMZULESA-N
MW448.56 g/mol
LogP4.52
Rot. Bonds10

About (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol

(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (PubChem CID 10671161) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
PubChem CID10671161
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESCOC1C[C@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-30-25-17-24(29)26(31-18-21-11-5-2-6-12-21)28(33-20-23-15-9-4-10-16-23)27(25)32-19-22-13-7-3-8-14-22/h2-16,24-29H,17-20H2,1H3/t24-,25?,26+,27-,28-/m0/s1
InChIKeyUQUKKZWAUQVYTP-IRVMZULESA-N
XLogP4.52
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol with MolForge

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Related Compounds

(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814
(1S,3R,4S)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 70901451
(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10533690
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 15460032
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183
(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,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (CID 10671161) is (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is COC1C[C@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is UQUKKZWAUQVYTP-IRVMZULESA-N. The full InChI is InChI=1S/C28H32O5/c1-30-25-17-24(29)26(31-18-21-11-5-2-6-12-21)28(33-20-23-15-9-4-10-16-23)27(25)32-19-22-13-7-3-8-14-22/h2-16,24-29H,17-20H2,1H3/t24-,25?,26+,27-,28-/m0/s1.
What are the key properties of (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 448.56 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 10671161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).