1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol

C20H26O3 — CID 11688242

IUPAC1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
SMILESCCC(O)C(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C20H26O3/c1-2-20(21)19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeyGBHXLVLQRZGYGG-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.81
Rot. Bonds10

About 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol

1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol (PubChem CID 11688242) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol.

Molecular Properties

Compound Name1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
PubChem CID11688242
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
SMILESCCC(O)C(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C20H26O3/c1-2-20(21)19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeyGBHXLVLQRZGYGG-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R,4S,5S,6R,7R,8R,9R,10S,11S,12R,13R)-2,4,6,8,10,12-hexamethyl-1-phenylmethoxypentadecane-3,5,7,9,11,13-hexol
CID 102331265
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-fluorobutoxymethylbenzene
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(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
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CID 10881156
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
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CID 101083353

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol?
The IUPAC name of 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol (CID 11688242) is 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol.
What is the SMILES notation for 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol?
The canonical SMILES for 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol is CCC(O)C(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol?
The InChIKey is GBHXLVLQRZGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-2-20(21)19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3.
What are the key properties of 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol?
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol has a molecular weight of 314.43 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol is sourced from PubChem (CID 11688242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).