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

C15H24O2 — CID 113322723

IUPAC5-(4-butylphenoxy)pentan-1-ol
SMILESCCCCc1ccc(OCCCCCO)cc1
InChIInChI=1S/C15H24O2/c1-2-3-7-14-8-10-15(11-9-14)17-13-6-4-5-12-16/h8-11,16H,2-7,12-13H2,1H3
InChIKeyRMLGGAGOSCHSAD-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.57
Rot. Bonds9

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

5-(4-butylphenoxy)pentan-1-ol (PubChem CID 113322723) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(4-butylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(4-butylphenoxy)pentan-1-ol
PubChem CID113322723
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(4-butylphenoxy)pentan-1-ol
SMILESCCCCc1ccc(OCCCCCO)cc1
InChIInChI=1S/C15H24O2/c1-2-3-7-14-8-10-15(11-9-14)17-13-6-4-5-12-16/h8-11,16H,2-7,12-13H2,1H3
InChIKeyRMLGGAGOSCHSAD-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.57
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-hexoxy-4-pentylbenzene
CID 54277450
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-nonoxy-4-propylbenzene
CID 118632119
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
[4-[6-(4-pentylphenoxy)hexoxy]phenyl]boronic acid
CID 68783133
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-(4-bromobutoxy)-4-butylbenzene
CID 67807255
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenoxy)pentan-1-ol?
The IUPAC name of 5-(4-butylphenoxy)pentan-1-ol (CID 113322723) is 5-(4-butylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(4-butylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(4-butylphenoxy)pentan-1-ol is CCCCc1ccc(OCCCCCO)cc1.
What is the InChIKey of 5-(4-butylphenoxy)pentan-1-ol?
The InChIKey is RMLGGAGOSCHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-7-14-8-10-15(11-9-14)17-13-6-4-5-12-16/h8-11,16H,2-7,12-13H2,1H3.
What are the key properties of 5-(4-butylphenoxy)pentan-1-ol?
5-(4-butylphenoxy)pentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenoxy)pentan-1-ol is sourced from PubChem (CID 113322723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).