(2R)-6-phenylmethoxyhexan-2-ol

C13H20O2 — CID 50901799

IUPAC(2R)-6-phenylmethoxyhexan-2-ol
SMILESC[C@@H](O)CCCCOCc1ccccc1
InChIInChI=1S/C13H20O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-/m1/s1
InChIKeyPOEQSPGKVCZGEY-GFCCVEGCSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds7

About (2R)-6-phenylmethoxyhexan-2-ol

(2R)-6-phenylmethoxyhexan-2-ol (PubChem CID 50901799) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R)-6-phenylmethoxyhexan-2-ol.

Molecular Properties

Compound Name(2R)-6-phenylmethoxyhexan-2-ol
PubChem CID50901799
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R)-6-phenylmethoxyhexan-2-ol
SMILESC[C@@H](O)CCCCOCc1ccccc1
InChIInChI=1S/C13H20O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-/m1/s1
InChIKeyPOEQSPGKVCZGEY-GFCCVEGCSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
(3S,4S,5S,6R)-4,6-dimethyl-10-phenylmethoxydecane-1,3,5-triol
CID 102077009
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030

Frequently Asked Questions

What is the IUPAC name of (2R)-6-phenylmethoxyhexan-2-ol?
The IUPAC name of (2R)-6-phenylmethoxyhexan-2-ol (CID 50901799) is (2R)-6-phenylmethoxyhexan-2-ol.
What is the SMILES notation for (2R)-6-phenylmethoxyhexan-2-ol?
The canonical SMILES for (2R)-6-phenylmethoxyhexan-2-ol is C[C@@H](O)CCCCOCc1ccccc1.
What is the InChIKey of (2R)-6-phenylmethoxyhexan-2-ol?
The InChIKey is POEQSPGKVCZGEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-6-phenylmethoxyhexan-2-ol?
(2R)-6-phenylmethoxyhexan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-phenylmethoxyhexan-2-ol is sourced from PubChem (CID 50901799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).