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

C14H22O3 — CID 62227500

IUPAC5-(4-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccc(OCCCCCO)cc1
InChIInChI=1S/C14H22O3/c1-2-11-16-13-6-8-14(9-7-13)17-12-5-3-4-10-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyHTYWWCFKXLNJOU-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.02
Rot. Bonds9

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

5-(4-propoxyphenoxy)pentan-1-ol (PubChem CID 62227500) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(4-propoxyphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(4-propoxyphenoxy)pentan-1-ol
PubChem CID62227500
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name5-(4-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccc(OCCCCCO)cc1
InChIInChI=1S/C14H22O3/c1-2-11-16-13-6-8-14(9-7-13)17-12-5-3-4-10-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyHTYWWCFKXLNJOU-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.02
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

9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-[4-[2-(4-dodecoxyphenyl)ethynyl]phenoxy]propan-1-ol
CID 4556199
4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
CID 10960272
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838

Frequently Asked Questions

What is the IUPAC name of 5-(4-propoxyphenoxy)pentan-1-ol?
The IUPAC name of 5-(4-propoxyphenoxy)pentan-1-ol (CID 62227500) is 5-(4-propoxyphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(4-propoxyphenoxy)pentan-1-ol?
The canonical SMILES for 5-(4-propoxyphenoxy)pentan-1-ol is CCCOc1ccc(OCCCCCO)cc1.
What is the InChIKey of 5-(4-propoxyphenoxy)pentan-1-ol?
The InChIKey is HTYWWCFKXLNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-11-16-13-6-8-14(9-7-13)17-12-5-3-4-10-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of 5-(4-propoxyphenoxy)pentan-1-ol?
5-(4-propoxyphenoxy)pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propoxyphenoxy)pentan-1-ol is sourced from PubChem (CID 62227500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).