1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol

C14H22O3 — CID 24906226

IUPAC1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
SMILESCCC(O)CCc1ccccc1OCCOC
InChIInChI=1S/C14H22O3/c1-3-13(15)9-8-12-6-4-5-7-14(12)17-11-10-16-2/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyHGNHMKGHWQRYFG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.42
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol

1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol (PubChem CID 24906226) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
PubChem CID24906226
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
SMILESCCC(O)CCc1ccccc1OCCOC
InChIInChI=1S/C14H22O3/c1-3-13(15)9-8-12-6-4-5-7-14(12)17-11-10-16-2/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyHGNHMKGHWQRYFG-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.42
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

1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene
CID 104662872
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea
CID 173114300
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol (CID 24906226) is 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol is CCC(O)CCc1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol?
The InChIKey is HGNHMKGHWQRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-13(15)9-8-12-6-4-5-7-14(12)17-11-10-16-2/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol?
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol is sourced from PubChem (CID 24906226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).