(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol

C20H26O3 — CID 101441637

IUPAC(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
SMILESCOC(OC)[C@@](C)(c1ccccc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C20H26O3/c1-20(19(22-2)23-3,17-12-8-5-9-13-17)18(21)15-14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,20-/m0/s1
InChIKeyKTGBYPFYOVNYGL-ICSRJNTNSA-N
MW314.43 g/mol
LogP3.56
Rot. Bonds8

About (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol

(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol (PubChem CID 101441637) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
PubChem CID101441637
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
SMILESCOC(OC)[C@@](C)(c1ccccc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C20H26O3/c1-20(19(22-2)23-3,17-12-8-5-9-13-17)18(21)15-14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,20-/m0/s1
InChIKeyKTGBYPFYOVNYGL-ICSRJNTNSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol
CID 79056520
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
methyl (3S)-2,2-dichloro-3-hydroxy-5-phenylpentanoate
CID 12034293
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
CID 15786597
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884
(2-bromo-1,1-dimethoxypropan-2-yl)benzene
CID 15889455
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
(3-methoxy-4,4-dimethylhex-5-enyl)benzene
CID 13449105
(1R)-1-(4-tert-butylpyridin-1-ium-1-yl)-3-phenylpropan-1-ol
CID 102250308
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol?
The IUPAC name of (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol (CID 101441637) is (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol.
What is the SMILES notation for (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol?
The canonical SMILES for (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol is COC(OC)[C@@](C)(c1ccccc1)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol?
The InChIKey is KTGBYPFYOVNYGL-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H26O3/c1-20(19(22-2)23-3,17-12-8-5-9-13-17)18(21)15-14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol?
(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol has a molecular weight of 314.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol is sourced from PubChem (CID 101441637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).