(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol

C15H20O3 — CID 101483428

IUPAC(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol
SMILESO[C@H](CCOCc1ccccc1)[C@H]1C=CCCO1
InChIInChI=1S/C15H20O3/c16-14(15-8-4-5-10-18-15)9-11-17-12-13-6-2-1-3-7-13/h1-4,6-8,14-16H,5,9-12H2/t14-,15-/m1/s1
InChIKeyFGIZHXHZMCMVJE-HUUCEWRRSA-N
MW248.32 g/mol
LogP2.30
Rot. Bonds6

About (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol

(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol (PubChem CID 101483428) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol
PubChem CID101483428
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol
SMILESO[C@H](CCOCc1ccccc1)[C@H]1C=CCCO1
InChIInChI=1S/C15H20O3/c16-14(15-8-4-5-10-18-15)9-11-17-12-13-6-2-1-3-7-13/h1-4,6-8,14-16H,5,9-12H2/t14-,15-/m1/s1
InChIKeyFGIZHXHZMCMVJE-HUUCEWRRSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
CID 44541660
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
CID 144529149
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol?
The IUPAC name of (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol (CID 101483428) is (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol is O[C@H](CCOCc1ccccc1)[C@H]1C=CCCO1.
What is the InChIKey of (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol?
The InChIKey is FGIZHXHZMCMVJE-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O3/c16-14(15-8-4-5-10-18-15)9-11-17-12-13-6-2-1-3-7-13/h1-4,6-8,14-16H,5,9-12H2/t14-,15-/m1/s1.
What are the key properties of (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol?
(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 101483428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).