2-(2-pentoxyphenyl)ethanol

C13H20O2 — CID 91657515

IUPAC2-(2-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccccc1CCO
InChIInChI=1S/C13H20O2/c1-2-3-6-11-15-13-8-5-4-7-12(13)9-10-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3
InChIKeyFNEQWDRJLBVTFF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-pentoxyphenyl)ethanol

2-(2-pentoxyphenyl)ethanol (PubChem CID 91657515) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-pentoxyphenyl)ethanol
PubChem CID91657515
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccccc1CCO
InChIInChI=1S/C13H20O2/c1-2-3-6-11-15-13-8-5-4-7-12(13)9-10-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3
InChIKeyFNEQWDRJLBVTFF-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
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

3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
1-octadecoxy-2-tridecylbenzene
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1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
(2-octoxyphenyl)methanol
CID 43128604
2-[2-[(4-octoxyphenyl)methoxy]phenyl]ethanol
CID 139712721
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
1-ethyl-2-heptoxybenzene
CID 22723794

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentoxyphenyl)ethanol?
The IUPAC name of 2-(2-pentoxyphenyl)ethanol (CID 91657515) is 2-(2-pentoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-pentoxyphenyl)ethanol?
The canonical SMILES for 2-(2-pentoxyphenyl)ethanol is CCCCCOc1ccccc1CCO.
What is the InChIKey of 2-(2-pentoxyphenyl)ethanol?
The InChIKey is FNEQWDRJLBVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-6-11-15-13-8-5-4-7-12(13)9-10-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3.
What are the key properties of 2-(2-pentoxyphenyl)ethanol?
2-(2-pentoxyphenyl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentoxyphenyl)ethanol is sourced from PubChem (CID 91657515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).