1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol

C16H17FO3 — CID 63016216

IUPAC1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)7-11-4-3-5-13(17)6-11/h3-6,8-10,16,18H,7H2,1-2H3
InChIKeyVSSPTNKZFAVCKK-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.12
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol

1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol (PubChem CID 63016216) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
PubChem CID63016216
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)7-11-4-3-5-13(17)6-11/h3-6,8-10,16,18H,7H2,1-2H3
InChIKeyVSSPTNKZFAVCKK-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111998953
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-(5-fluoro-3-pyridinyl)-2-(3-methoxyphenyl)ethanol
CID 54966198
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol (CID 63016216) is 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol is COc1cc(OC)cc(C(O)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is VSSPTNKZFAVCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)7-11-4-3-5-13(17)6-11/h3-6,8-10,16,18H,7H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol?
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 63016216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).