1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol

C20H23FO4 — CID 160903575

IUPAC1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol
SMILESC=C(O)c1cc(OC)c(OCCOc2ccccc2F)c(C(C)C)c1
InChIInChI=1S/C20H23FO4/c1-13(2)16-11-15(14(3)22)12-19(23-4)20(16)25-10-9-24-18-8-6-5-7-17(18)21/h5-8,11-13,22H,3,9-10H2,1-2,4H3
InChIKeyHHIBZVPMXZBHIV-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.94
Rot. Bonds8

About 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol

1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol (PubChem CID 160903575) has the molecular formula C20H23FO4 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol.

Molecular Properties

Compound Name1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol
PubChem CID160903575
Molecular FormulaC20H23FO4
Molecular Weight346.40 g/mol
Exact Mass346.16
IUPAC Name1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol
SMILESC=C(O)c1cc(OC)c(OCCOc2ccccc2F)c(C(C)C)c1
InChIInChI=1S/C20H23FO4/c1-13(2)16-11-15(14(3)22)12-19(23-4)20(16)25-10-9-24-18-8-6-5-7-17(18)21/h5-8,11-13,22H,3,9-10H2,1-2,4H3
InChIKeyHHIBZVPMXZBHIV-UHFFFAOYSA-N
XLogP4.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
CID 145364125
3-chloro-5-methoxy-4-[2-(2-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 20985944
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
5-bromo-3-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22681475
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
CID 2232105
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol?
The IUPAC name of 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol (CID 160903575) is 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol.
What is the SMILES notation for 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol?
The canonical SMILES for 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol is C=C(O)c1cc(OC)c(OCCOc2ccccc2F)c(C(C)C)c1.
What is the InChIKey of 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol?
The InChIKey is HHIBZVPMXZBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO4/c1-13(2)16-11-15(14(3)22)12-19(23-4)20(16)25-10-9-24-18-8-6-5-7-17(18)21/h5-8,11-13,22H,3,9-10H2,1-2,4H3.
What are the key properties of 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol?
1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol has a molecular weight of 346.40 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol is sourced from PubChem (CID 160903575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).