4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol

C16H24O5 — CID 91575534

IUPAC4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol
SMILESCCCC1(C(O)COCc2ccccc2)COC(O)(O)C1
InChIInChI=1S/C16H24O5/c1-2-8-15(11-16(18,19)21-12-15)14(17)10-20-9-13-6-4-3-5-7-13/h3-7,14,17-19H,2,8-12H2,1H3
InChIKeyJLDCROBEHUIUMU-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.41
Rot. Bonds7

About 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol

4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol (PubChem CID 91575534) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol.

Molecular Properties

Compound Name4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol
PubChem CID91575534
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol
SMILESCCCC1(C(O)COCc2ccccc2)COC(O)(O)C1
InChIInChI=1S/C16H24O5/c1-2-8-15(11-16(18,19)21-12-15)14(17)10-20-9-13-6-4-3-5-7-13/h3-7,14,17-19H,2,8-12H2,1H3
InChIKeyJLDCROBEHUIUMU-UHFFFAOYSA-N
XLogP1.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol
CID 67706631
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
2,2-dibromoethoxymethylbenzene
CID 14668834

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol?
The IUPAC name of 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol (CID 91575534) is 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol.
What is the SMILES notation for 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol?
The canonical SMILES for 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol is CCCC1(C(O)COCc2ccccc2)COC(O)(O)C1.
What is the InChIKey of 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol?
The InChIKey is JLDCROBEHUIUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-2-8-15(11-16(18,19)21-12-15)14(17)10-20-9-13-6-4-3-5-7-13/h3-7,14,17-19H,2,8-12H2,1H3.
What are the key properties of 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol?
4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol has a molecular weight of 296.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol is sourced from PubChem (CID 91575534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).