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

C31H32O5 — CID 11092097

IUPAC(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](c2ccco2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C31H32O5/c32-27-19-26(28-17-10-18-33-28)29(34-20-23-11-4-1-5-12-23)31(36-22-25-15-8-3-9-16-25)30(27)35-21-24-13-6-2-7-14-24/h1-18,26-27,29-32H,19-22H2/t26-,27-,29+,30?,31-/m1/s1
InChIKeyGYYBBSIMATURFS-NDOBWZISSA-N
MW484.59 g/mol
LogP5.88
Rot. Bonds10

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

(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (PubChem CID 11092097) has the molecular formula C31H32O5 and a molecular weight of 484.59 g/mol. Its IUPAC name is (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
PubChem CID11092097
Molecular FormulaC31H32O5
Molecular Weight484.59 g/mol
Exact Mass484.22
IUPAC Name(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](c2ccco2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C31H32O5/c32-27-19-26(28-17-10-18-33-28)29(34-20-23-11-4-1-5-12-23)31(36-22-25-15-8-3-9-16-25)30(27)35-21-24-13-6-2-7-14-24/h1-18,26-27,29-32H,19-22H2/t26-,27-,29+,30?,31-/m1/s1
InChIKeyGYYBBSIMATURFS-NDOBWZISSA-N
XLogP5.88
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,4S,5S)-5-(furan-2-yl)-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
(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
(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
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(1S,2R,4S,5S,6R)-6-chloro-5-phenylmethoxycyclohexane-1,2,4-triol
CID 100947422
(3aS,4S,5R,6R,7aS)-4,5-bis(phenylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
CID 102081104
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (CID 11092097) is (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is O[C@@H]1C[C@H](c2ccco2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is GYYBBSIMATURFS-NDOBWZISSA-N. The full InChI is InChI=1S/C31H32O5/c32-27-19-26(28-17-10-18-33-28)29(34-20-23-11-4-1-5-12-23)31(36-22-25-15-8-3-9-16-25)30(27)35-21-24-13-6-2-7-14-24/h1-18,26-27,29-32H,19-22H2/t26-,27-,29+,30?,31-/m1/s1.
What are the key properties of (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 484.59 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 11092097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).