(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol

C21H26O3 — CID 59979356

IUPAC(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
SMILESC[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C21H26O3/c1-16-12-19(22)21(24-15-18-10-6-3-7-11-18)20(13-16)23-14-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3/t16-,19+,20+,21+/m0/s1
InChIKeyIJLVHTBTBOPNNB-LLUDDFSJSA-N
MW326.44 g/mol
LogP3.95
Rot. Bonds6

About (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol

(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol (PubChem CID 59979356) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
PubChem CID59979356
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
SMILESC[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C21H26O3/c1-16-12-19(22)21(24-15-18-10-6-3-7-11-18)20(13-16)23-14-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3/t16-,19+,20+,21+/m0/s1
InChIKeyIJLVHTBTBOPNNB-LLUDDFSJSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol with MolForge

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Related Compounds

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CID 10042151
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(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,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
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CID 66809677
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
(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,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol (CID 59979356) is (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol is C[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1.
What is the InChIKey of (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is IJLVHTBTBOPNNB-LLUDDFSJSA-N. The full InChI is InChI=1S/C21H26O3/c1-16-12-19(22)21(24-15-18-10-6-3-7-11-18)20(13-16)23-14-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3/t16-,19+,20+,21+/m0/s1.
What are the key properties of (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol?
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 59979356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).