3-(2-pentoxyphenyl)propan-1-ol

C14H22O2 — CID 82161171

IUPAC3-(2-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1ccccc1CCCO
InChIInChI=1S/C14H22O2/c1-2-3-6-12-16-14-10-5-4-8-13(14)9-7-11-15/h4-5,8,10,15H,2-3,6-7,9,11-12H2,1H3
InChIKeyMANWFESCHMCQJH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds8

About 3-(2-pentoxyphenyl)propan-1-ol

3-(2-pentoxyphenyl)propan-1-ol (PubChem CID 82161171) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2-pentoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-pentoxyphenyl)propan-1-ol
PubChem CID82161171
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(2-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1ccccc1CCCO
InChIInChI=1S/C14H22O2/c1-2-3-6-12-16-14-10-5-4-8-13(14)9-7-11-15/h4-5,8,10,15H,2-3,6-7,9,11-12H2,1H3
InChIKeyMANWFESCHMCQJH-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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CID 91657515
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1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
(2-octoxyphenyl)methanol
CID 43128604
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
1-ethyl-2-heptoxybenzene
CID 22723794
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363

Frequently Asked Questions

What is the IUPAC name of 3-(2-pentoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2-pentoxyphenyl)propan-1-ol (CID 82161171) is 3-(2-pentoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-pentoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2-pentoxyphenyl)propan-1-ol is CCCCCOc1ccccc1CCCO.
What is the InChIKey of 3-(2-pentoxyphenyl)propan-1-ol?
The InChIKey is MANWFESCHMCQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-6-12-16-14-10-5-4-8-13(14)9-7-11-15/h4-5,8,10,15H,2-3,6-7,9,11-12H2,1H3.
What are the key properties of 3-(2-pentoxyphenyl)propan-1-ol?
3-(2-pentoxyphenyl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pentoxyphenyl)propan-1-ol is sourced from PubChem (CID 82161171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).