(2S)-15-phenylmethoxypentadecane-1,2-diol

C22H38O3 — CID 101081021

IUPAC(2S)-15-phenylmethoxypentadecane-1,2-diol
SMILESOC[C@@H](O)CCCCCCCCCCCCCOCc1ccccc1
InChIInChI=1S/C22H38O3/c23-19-22(24)17-13-8-6-4-2-1-3-5-7-9-14-18-25-20-21-15-11-10-12-16-21/h10-12,15-16,22-24H,1-9,13-14,17-20H2/t22-/m0/s1
InChIKeyHNQAWXLLNHOLCP-QFIPXVFZSA-N
MW350.54 g/mol
LogP5.24
Rot. Bonds17

About (2S)-15-phenylmethoxypentadecane-1,2-diol

(2S)-15-phenylmethoxypentadecane-1,2-diol (PubChem CID 101081021) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is (2S)-15-phenylmethoxypentadecane-1,2-diol.

Molecular Properties

Compound Name(2S)-15-phenylmethoxypentadecane-1,2-diol
PubChem CID101081021
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name(2S)-15-phenylmethoxypentadecane-1,2-diol
SMILESOC[C@@H](O)CCCCCCCCCCCCCOCc1ccccc1
InChIInChI=1S/C22H38O3/c23-19-22(24)17-13-8-6-4-2-1-3-5-7-9-14-18-25-20-21-15-11-10-12-16-21/h10-12,15-16,22-24H,1-9,13-14,17-20H2/t22-/m0/s1
InChIKeyHNQAWXLLNHOLCP-QFIPXVFZSA-N
XLogP5.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846

Frequently Asked Questions

What is the IUPAC name of (2S)-15-phenylmethoxypentadecane-1,2-diol?
The IUPAC name of (2S)-15-phenylmethoxypentadecane-1,2-diol (CID 101081021) is (2S)-15-phenylmethoxypentadecane-1,2-diol.
What is the SMILES notation for (2S)-15-phenylmethoxypentadecane-1,2-diol?
The canonical SMILES for (2S)-15-phenylmethoxypentadecane-1,2-diol is OC[C@@H](O)CCCCCCCCCCCCCOCc1ccccc1.
What is the InChIKey of (2S)-15-phenylmethoxypentadecane-1,2-diol?
The InChIKey is HNQAWXLLNHOLCP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H38O3/c23-19-22(24)17-13-8-6-4-2-1-3-5-7-9-14-18-25-20-21-15-11-10-12-16-21/h10-12,15-16,22-24H,1-9,13-14,17-20H2/t22-/m0/s1.
What are the key properties of (2S)-15-phenylmethoxypentadecane-1,2-diol?
(2S)-15-phenylmethoxypentadecane-1,2-diol has a molecular weight of 350.54 g/mol, XLogP of 5.24, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-15-phenylmethoxypentadecane-1,2-diol is sourced from PubChem (CID 101081021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).