1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol

C16H17FO3 — CID 62787268

IUPAC1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17FO3/c1-16(18,11-5-4-6-13(17)9-11)12-7-8-14(19-2)15(10-12)20-3/h4-10,18H,1-3H3
InChIKeyDHCDNKYNAXRFDS-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.10
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol

1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol (PubChem CID 62787268) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
PubChem CID62787268
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17FO3/c1-16(18,11-5-4-6-13(17)9-11)12-7-8-14(19-2)15(10-12)20-3/h4-10,18H,1-3H3
InChIKeyDHCDNKYNAXRFDS-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116809791
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol (CID 62787268) is 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol is COc1ccc(C(C)(O)c2cccc(F)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol?
The InChIKey is DHCDNKYNAXRFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-16(18,11-5-4-6-13(17)9-11)12-7-8-14(19-2)15(10-12)20-3/h4-10,18H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol?
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 62787268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).