(2R,5R)-5-phenylmethoxyhexan-2-ol

C13H20O2 — CID 13411955

IUPAC(2R,5R)-5-phenylmethoxyhexan-2-ol
SMILESC[C@H](CC[C@@H](C)O)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-11(14)8-9-12(2)15-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyVVWCFDPNIGTPFP-VXGBXAGGSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds6

About (2R,5R)-5-phenylmethoxyhexan-2-ol

(2R,5R)-5-phenylmethoxyhexan-2-ol (PubChem CID 13411955) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R,5R)-5-phenylmethoxyhexan-2-ol.

Molecular Properties

Compound Name(2R,5R)-5-phenylmethoxyhexan-2-ol
PubChem CID13411955
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R,5R)-5-phenylmethoxyhexan-2-ol
SMILESC[C@H](CC[C@@H](C)O)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-11(14)8-9-12(2)15-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyVVWCFDPNIGTPFP-VXGBXAGGSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-benzyl-5-phenylmethoxyhexanoate
CID 176961761
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butan-2-yloxymethylbenzene;ethane
CID 161043537
2-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 11334831
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
(4S)-1-bromo-4-phenylmethoxypentan-2-one
CID 86658652
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
methanol;3-phenylmethoxybutanal
CID 170758415
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-phenylmethoxyhexan-2-ol?
The IUPAC name of (2R,5R)-5-phenylmethoxyhexan-2-ol (CID 13411955) is (2R,5R)-5-phenylmethoxyhexan-2-ol.
What is the SMILES notation for (2R,5R)-5-phenylmethoxyhexan-2-ol?
The canonical SMILES for (2R,5R)-5-phenylmethoxyhexan-2-ol is C[C@H](CC[C@@H](C)O)OCc1ccccc1.
What is the InChIKey of (2R,5R)-5-phenylmethoxyhexan-2-ol?
The InChIKey is VVWCFDPNIGTPFP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(14)8-9-12(2)15-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-5-phenylmethoxyhexan-2-ol?
(2R,5R)-5-phenylmethoxyhexan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-phenylmethoxyhexan-2-ol is sourced from PubChem (CID 13411955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).