1-(4-pentylphenoxy)propan-2-ol

C14H22O2 — CID 142276328

IUPAC1-(4-pentylphenoxy)propan-2-ol
SMILESCCCCCc1ccc(OCC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-6-13-7-9-14(10-8-13)16-11-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDRYBROJIEHQXEU-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds7

About 1-(4-pentylphenoxy)propan-2-ol

1-(4-pentylphenoxy)propan-2-ol (PubChem CID 142276328) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-pentylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-pentylphenoxy)propan-2-ol
PubChem CID142276328
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(4-pentylphenoxy)propan-2-ol
SMILESCCCCCc1ccc(OCC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-6-13-7-9-14(10-8-13)16-11-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDRYBROJIEHQXEU-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 102126517
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-(4-octylphenoxy)propan-2-ol
CID 68605102
1-hexoxy-4-pentylbenzene
CID 54277450
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-pentylphenoxy)propan-2-ol (CID 142276328) is 1-(4-pentylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-pentylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-pentylphenoxy)propan-2-ol is CCCCCc1ccc(OCC(C)O)cc1.
What is the InChIKey of 1-(4-pentylphenoxy)propan-2-ol?
The InChIKey is DRYBROJIEHQXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-6-13-7-9-14(10-8-13)16-11-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-pentylphenoxy)propan-2-ol?
1-(4-pentylphenoxy)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylphenoxy)propan-2-ol is sourced from PubChem (CID 142276328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).