3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol

C14H21FO3 — CID 116713778

IUPAC3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO3/c1-5-18-14(2,3)13(16)9-10-6-7-12(17-4)11(15)8-10/h6-8,13,16H,5,9H2,1-4H3
InChIKeyQIXHGWLYTSFZJR-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.55
Rot. Bonds6

About 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol

3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol (PubChem CID 116713778) has the molecular formula C14H21FO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
PubChem CID116713778
Molecular FormulaC14H21FO3
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO3/c1-5-18-14(2,3)13(16)9-10-6-7-12(17-4)11(15)8-10/h6-8,13,16H,5,9H2,1-4H3
InChIKeyQIXHGWLYTSFZJR-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol
CID 63018220
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol?
The IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol (CID 116713778) is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol is CCOC(C)(C)C(O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol?
The InChIKey is QIXHGWLYTSFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3/c1-5-18-14(2,3)13(16)9-10-6-7-12(17-4)11(15)8-10/h6-8,13,16H,5,9H2,1-4H3.
What are the key properties of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol?
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol has a molecular weight of 256.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 116713778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).