3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol

C23H32O4 — CID 130301437

IUPAC3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
SMILESCCCCCc1c(OCCCO)cc(-c2ccccc2)cc1OCCCO
InChIInChI=1S/C23H32O4/c1-2-3-5-12-21-22(26-15-8-13-24)17-20(19-10-6-4-7-11-19)18-23(21)27-16-9-14-25/h4,6-7,10-11,17-18,24-25H,2-3,5,8-9,12-16H2,1H3
InChIKeyTUGDGFDRFZPKPU-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.61
Rot. Bonds13

About 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol

3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol (PubChem CID 130301437) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
PubChem CID130301437
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
SMILESCCCCCc1c(OCCCO)cc(-c2ccccc2)cc1OCCCO
InChIInChI=1S/C23H32O4/c1-2-3-5-12-21-22(26-15-8-13-24)17-20(19-10-6-4-7-11-19)18-23(21)27-16-9-14-25/h4,6-7,10-11,17-18,24-25H,2-3,5,8-9,12-16H2,1H3
InChIKeyTUGDGFDRFZPKPU-UHFFFAOYSA-N
XLogP4.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.61
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

3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene
CID 19107870
2-(2-dodecylphenoxy)ethanol
CID 14475097
3-[4-[4-[4-(3-hydroxypropoxy)-3-pentylphenyl]phenyl]phenoxy]propan-1-ol
CID 174566035
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-octadecoxy-2-phenylbenzene
CID 70983974
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
2-(2-pentoxyphenyl)ethanol
CID 91657515
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
1,1'-biphenyl;hexadecane
CID 173308514
pentane-1-thiol;3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174451877

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol (CID 130301437) is 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol is CCCCCc1c(OCCCO)cc(-c2ccccc2)cc1OCCCO.
What is the InChIKey of 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol?
The InChIKey is TUGDGFDRFZPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-2-3-5-12-21-22(26-15-8-13-24)17-20(19-10-6-4-7-11-19)18-23(21)27-16-9-14-25/h4,6-7,10-11,17-18,24-25H,2-3,5,8-9,12-16H2,1H3.
What are the key properties of 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol?
3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol has a molecular weight of 372.51 g/mol, XLogP of 4.61, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol is sourced from PubChem (CID 130301437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).