5-(4-phenoxyphenoxy)pentan-1-ol

C17H20O3 — CID 62229008

IUPAC5-(4-phenoxyphenoxy)pentan-1-ol
SMILESOCCCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20O3/c18-13-5-2-6-14-19-15-9-11-17(12-10-15)20-16-7-3-1-4-8-16/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyRIJMSPOYXXVVHV-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.02
Rot. Bonds8

About 5-(4-phenoxyphenoxy)pentan-1-ol

5-(4-phenoxyphenoxy)pentan-1-ol (PubChem CID 62229008) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(4-phenoxyphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(4-phenoxyphenoxy)pentan-1-ol
PubChem CID62229008
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name5-(4-phenoxyphenoxy)pentan-1-ol
SMILESOCCCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20O3/c18-13-5-2-6-14-19-15-9-11-17(12-10-15)20-16-7-3-1-4-8-16/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyRIJMSPOYXXVVHV-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-phenoxyheptan-1-ol
CID 15856264
5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
CID 22357963
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
ethene;nonoxybenzene;phenoxybenzene
CID 174749747

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenoxy)pentan-1-ol?
The IUPAC name of 5-(4-phenoxyphenoxy)pentan-1-ol (CID 62229008) is 5-(4-phenoxyphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(4-phenoxyphenoxy)pentan-1-ol?
The canonical SMILES for 5-(4-phenoxyphenoxy)pentan-1-ol is OCCCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenoxy)pentan-1-ol?
The InChIKey is RIJMSPOYXXVVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-13-5-2-6-14-19-15-9-11-17(12-10-15)20-16-7-3-1-4-8-16/h1,3-4,7-12,18H,2,5-6,13-14H2.
What are the key properties of 5-(4-phenoxyphenoxy)pentan-1-ol?
5-(4-phenoxyphenoxy)pentan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenoxy)pentan-1-ol is sourced from PubChem (CID 62229008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).