1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol

C18H21FO2 — CID 116542850

IUPAC1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(C)(O)c2c(F)cccc2OC)c1
InChIInChI=1S/C18H21FO2/c1-4-7-13-8-5-9-14(12-13)18(2,20)17-15(19)10-6-11-16(17)21-3/h5-6,8-12,20H,4,7H2,1-3H3
InChIKeyATBJLONCDUSWPF-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol

1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol (PubChem CID 116542850) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
PubChem CID116542850
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(C)(O)c2c(F)cccc2OC)c1
InChIInChI=1S/C18H21FO2/c1-4-7-13-8-5-9-14(12-13)18(2,20)17-15(19)10-6-11-16(17)21-3/h5-6,8-12,20H,4,7H2,1-3H3
InChIKeyATBJLONCDUSWPF-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-(2-fluoro-6-methoxyphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 113389290
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116809791
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
CID 113389301
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-(2-chlorophenyl)-1-(3-propylphenyl)ethanol
CID 116542288
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol (CID 116542850) is 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol is CCCc1cccc(C(C)(O)c2c(F)cccc2OC)c1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol?
The InChIKey is ATBJLONCDUSWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-4-7-13-8-5-9-14(12-13)18(2,20)17-15(19)10-6-11-16(17)21-3/h5-6,8-12,20H,4,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol?
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol has a molecular weight of 288.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol is sourced from PubChem (CID 116542850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).