[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol

C27H38O5 — CID 101023558

IUPAC[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
SMILESCC(C)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](CO)C[C@@H](OCc2ccccc2)[C@H]1OC(C)C
InChIInChI=1S/C27H38O5/c1-19(2)31-26-24(29-17-21-11-7-5-8-12-21)15-23(16-28)25(27(26)32-20(3)4)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-28H,15-18H2,1-4H3/t23-,24-,25-,26-,27-/m1/s1
InChIKeyHTHLENBVGYFPAV-RFNQJFSXSA-N
MW442.60 g/mol
LogP4.76
Rot. Bonds11

About [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol

[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol (PubChem CID 101023558) has the molecular formula C27H38O5 and a molecular weight of 442.60 g/mol. Its IUPAC name is [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
PubChem CID101023558
Molecular FormulaC27H38O5
Molecular Weight442.60 g/mol
Exact Mass442.27
IUPAC Name[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
SMILESCC(C)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](CO)C[C@@H](OCc2ccccc2)[C@H]1OC(C)C
InChIInChI=1S/C27H38O5/c1-19(2)31-26-24(29-17-21-11-7-5-8-12-21)15-23(16-28)25(27(26)32-20(3)4)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-28H,15-18H2,1-4H3/t23-,24-,25-,26-,27-/m1/s1
InChIKeyHTHLENBVGYFPAV-RFNQJFSXSA-N
XLogP4.76
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol with MolForge

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Related Compounds

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
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,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
CID 11790849
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene
CID 10254228
[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
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol (CID 101023558) is [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol is CC(C)O[C@@H]1[C@H](OCc2ccccc2)[C@@H](CO)C[C@@H](OCc2ccccc2)[C@H]1OC(C)C.
What is the InChIKey of [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol?
The InChIKey is HTHLENBVGYFPAV-RFNQJFSXSA-N. The full InChI is InChI=1S/C27H38O5/c1-19(2)31-26-24(29-17-21-11-7-5-8-12-21)15-23(16-28)25(27(26)32-20(3)4)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-28H,15-18H2,1-4H3/t23-,24-,25-,26-,27-/m1/s1.
What are the key properties of [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol?
[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol has a molecular weight of 442.60 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 101023558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).