2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol

C19H32O5 — CID 139744930

IUPAC2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
SMILESCC(CO)OCC(C)OCC(C)OCC(C)OCc1ccccc1
InChIInChI=1S/C19H32O5/c1-15(10-20)21-11-16(2)22-12-17(3)23-13-18(4)24-14-19-8-6-5-7-9-19/h5-9,15-18,20H,10-14H2,1-4H3
InChIKeyHLLDFHYXCMSMPQ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.80
Rot. Bonds13

About 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol

2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol (PubChem CID 139744930) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
PubChem CID139744930
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Name2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
SMILESCC(CO)OCC(C)OCC(C)OCC(C)OCc1ccccc1
InChIInChI=1S/C19H32O5/c1-15(10-20)21-11-16(2)22-12-17(3)23-13-18(4)24-14-19-8-6-5-7-9-19/h5-9,15-18,20H,10-14H2,1-4H3
InChIKeyHLLDFHYXCMSMPQ-UHFFFAOYSA-N
XLogP2.80
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 174717970
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
butan-2-yloxymethylbenzene;ethane
CID 161043537
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
3,5-dinitrobenzoic acid;(2R)-2-phenylmethoxypropan-1-ol
CID 71407886
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
[(2S)-2-phenylmethoxypropyl] 2-bromoacetate
CID 131871221
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol (CID 139744930) is 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol is CC(CO)OCC(C)OCC(C)OCC(C)OCc1ccccc1.
What is the InChIKey of 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol?
The InChIKey is HLLDFHYXCMSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O5/c1-15(10-20)21-11-16(2)22-12-17(3)23-13-18(4)24-14-19-8-6-5-7-9-19/h5-9,15-18,20H,10-14H2,1-4H3.
What are the key properties of 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol?
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol has a molecular weight of 340.46 g/mol, XLogP of 2.80, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 139744930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).