5-(2-phenylmethoxyethoxy)pentane-1,3-diol

C14H22O4 — CID 66870835

IUPAC5-(2-phenylmethoxyethoxy)pentane-1,3-diol
SMILESOCCC(O)CCOCCOCc1ccccc1
InChIInChI=1S/C14H22O4/c15-8-6-14(16)7-9-17-10-11-18-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyPOYHKNGIUAEIQO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.35
Rot. Bonds10

About 5-(2-phenylmethoxyethoxy)pentane-1,3-diol

5-(2-phenylmethoxyethoxy)pentane-1,3-diol (PubChem CID 66870835) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(2-phenylmethoxyethoxy)pentane-1,3-diol.

Molecular Properties

Compound Name5-(2-phenylmethoxyethoxy)pentane-1,3-diol
PubChem CID66870835
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name5-(2-phenylmethoxyethoxy)pentane-1,3-diol
SMILESOCCC(O)CCOCCOCc1ccccc1
InChIInChI=1S/C14H22O4/c15-8-6-14(16)7-9-17-10-11-18-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyPOYHKNGIUAEIQO-UHFFFAOYSA-N
XLogP1.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylmethoxyethoxy)pentane-1,3-diol?
The IUPAC name of 5-(2-phenylmethoxyethoxy)pentane-1,3-diol (CID 66870835) is 5-(2-phenylmethoxyethoxy)pentane-1,3-diol.
What is the SMILES notation for 5-(2-phenylmethoxyethoxy)pentane-1,3-diol?
The canonical SMILES for 5-(2-phenylmethoxyethoxy)pentane-1,3-diol is OCCC(O)CCOCCOCc1ccccc1.
What is the InChIKey of 5-(2-phenylmethoxyethoxy)pentane-1,3-diol?
The InChIKey is POYHKNGIUAEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-8-6-14(16)7-9-17-10-11-18-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2.
What are the key properties of 5-(2-phenylmethoxyethoxy)pentane-1,3-diol?
5-(2-phenylmethoxyethoxy)pentane-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylmethoxyethoxy)pentane-1,3-diol is sourced from PubChem (CID 66870835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).