(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol

C18H28O4 — CID 10590934

IUPAC(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
SMILESOCCCC[C@@H](COCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C18H28O4/c19-12-6-4-10-17(22-18-11-5-7-13-21-18)15-20-14-16-8-2-1-3-9-16/h1-3,8-9,17-19H,4-7,10-15H2/t17-,18?/m0/s1
InChIKeyVVSYHIQIISHBAO-ZENAZSQFSA-N
MW308.42 g/mol
LogP3.28
Rot. Bonds10

About (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol

(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol (PubChem CID 10590934) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol.

Molecular Properties

Compound Name(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
PubChem CID10590934
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
SMILESOCCCC[C@@H](COCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C18H28O4/c19-12-6-4-10-17(22-18-11-5-7-13-21-18)15-20-14-16-8-2-1-3-9-16/h1-3,8-9,17-19H,4-7,10-15H2/t17-,18?/m0/s1
InChIKeyVVSYHIQIISHBAO-ZENAZSQFSA-N
XLogP3.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
(3R)-N-[10-hydroxy-1-(oxan-2-yloxy)decan-2-yl]-3-phenylmethoxytetradecanamide
CID 141044601
benzyl (2S,3S,5S)-2-hexyl-3-(oxan-2-yloxy)-5-phenylmethoxyhexadecanoate
CID 10304806
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
2-[(2R)-3-hexadecoxy-2-phenylmethoxypropoxy]oxane
CID 10323317
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol?
The IUPAC name of (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol (CID 10590934) is (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol.
What is the SMILES notation for (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol?
The canonical SMILES for (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol is OCCCC[C@@H](COCc1ccccc1)OC1CCCCO1.
What is the InChIKey of (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol?
The InChIKey is VVSYHIQIISHBAO-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H28O4/c19-12-6-4-10-17(22-18-11-5-7-13-21-18)15-20-14-16-8-2-1-3-9-16/h1-3,8-9,17-19H,4-7,10-15H2/t17-,18?/m0/s1.
What are the key properties of (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol?
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol is sourced from PubChem (CID 10590934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).