(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol

C20H26O2 — CID 147439182

IUPAC(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
SMILESC[C@@H](CC(CCO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H26O2/c1-17(22-16-19-10-6-3-7-11-19)14-20(12-13-21)15-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-,20?/m0/s1
InChIKeyDVWMZZNYWOWCSV-DIMJTDRSSA-N
MW298.43 g/mol
LogP4.22
Rot. Bonds9

About (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol

(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol (PubChem CID 147439182) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol.

Molecular Properties

Compound Name(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
PubChem CID147439182
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
SMILESC[C@@H](CC(CCO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H26O2/c1-17(22-16-19-10-6-3-7-11-19)14-20(12-13-21)15-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-,20?/m0/s1
InChIKeyDVWMZZNYWOWCSV-DIMJTDRSSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-[(4-methoxyphenyl)methyl]-5-phenylmethoxyhexan-1-ol;phenol
CID 145114588
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
4-benzyl-2-ethylhexane-1,6-diol
CID 141380082
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
benzyl 2-benzyl-5-phenylmethoxyhexanoate
CID 176961761
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
(3S)-3-benzylheptan-1-ol
CID 15214037
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
butan-2-yloxymethylbenzene;ethane
CID 161043537
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol?
The IUPAC name of (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol (CID 147439182) is (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol.
What is the SMILES notation for (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol?
The canonical SMILES for (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol is C[C@@H](CC(CCO)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol?
The InChIKey is DVWMZZNYWOWCSV-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H26O2/c1-17(22-16-19-10-6-3-7-11-19)14-20(12-13-21)15-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-,20?/m0/s1.
What are the key properties of (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol?
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-phenylmethoxyhexan-1-ol is sourced from PubChem (CID 147439182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).