1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol

C15H20N2O3 — CID 82001092

IUPAC1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-12,18H,3,7,9H2,1-2H3
InChIKeyVKUNYBQKDPRLQH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol

1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol (PubChem CID 82001092) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
PubChem CID82001092
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-12,18H,3,7,9H2,1-2H3
InChIKeyVKUNYBQKDPRLQH-UHFFFAOYSA-N
XLogP2.41
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 102948559
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
CID 18921898
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol (CID 82001092) is 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol is COc1ccc(C(C)O)c(OCCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol?
The InChIKey is VKUNYBQKDPRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-12,18H,3,7,9H2,1-2H3.
What are the key properties of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol?
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).