(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol

C24H40O5 — CID 10716410

IUPAC(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol
SMILESCOc1c(C)c(C)c(OC)c(CC[C@](C)(O)[C@H](O)COCC2CCCCC2)c1C
InChIInChI=1S/C24H40O5/c1-16-17(2)23(28-6)20(18(3)22(16)27-5)12-13-24(4,26)21(25)15-29-14-19-10-8-7-9-11-19/h19,21,25-26H,7-15H2,1-6H3/t21-,24+/m1/s1
InChIKeyZXRPZDQGNYFIQZ-QPPBQGQZSA-N
MW408.58 g/mol
LogP4.27
Rot. Bonds10

About (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol

(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol (PubChem CID 10716410) has the molecular formula C24H40O5 and a molecular weight of 408.58 g/mol. Its IUPAC name is (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol
PubChem CID10716410
Molecular FormulaC24H40O5
Molecular Weight408.58 g/mol
Exact Mass408.29
IUPAC Name(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol
SMILESCOc1c(C)c(C)c(OC)c(CC[C@](C)(O)[C@H](O)COCC2CCCCC2)c1C
InChIInChI=1S/C24H40O5/c1-16-17(2)23(28-6)20(18(3)22(16)27-5)12-13-24(4,26)21(25)15-29-14-19-10-8-7-9-11-19/h19,21,25-26H,7-15H2,1-6H3/t21-,24+/m1/s1
InChIKeyZXRPZDQGNYFIQZ-QPPBQGQZSA-N
XLogP4.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol with MolForge

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Related Compounds

(2S,3S)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-1,2,3-triol
CID 102427474
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
CID 134990490
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372
2-(cyclohexylmethoxy)-1-(2,5-dimethylphenyl)ethanol
CID 62383414
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
CID 59949582
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol?
The IUPAC name of (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol (CID 10716410) is (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol.
What is the SMILES notation for (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol?
The canonical SMILES for (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol is COc1c(C)c(C)c(OC)c(CC[C@](C)(O)[C@H](O)COCC2CCCCC2)c1C.
What is the InChIKey of (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol?
The InChIKey is ZXRPZDQGNYFIQZ-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H40O5/c1-16-17(2)23(28-6)20(18(3)22(16)27-5)12-13-24(4,26)21(25)15-29-14-19-10-8-7-9-11-19/h19,21,25-26H,7-15H2,1-6H3/t21-,24+/m1/s1.
What are the key properties of (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol?
(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol has a molecular weight of 408.58 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol is sourced from PubChem (CID 10716410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).