1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

C16H16ClFO3 — CID 115782250

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Cl)cc2OC)cc1F
InChIInChI=1S/C16H16ClFO3/c1-20-15-6-3-10(7-13(15)18)8-14(19)12-5-4-11(17)9-16(12)21-2/h3-7,9,14,19H,8H2,1-2H3
InChIKeySUJRXPHJXCWKRQ-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 115782250) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID115782250
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Cl)cc2OC)cc1F
InChIInChI=1S/C16H16ClFO3/c1-20-15-6-3-10(7-13(15)18)8-14(19)12-5-4-11(17)9-16(12)21-2/h3-7,9,14,19H,8H2,1-2H3
InChIKeySUJRXPHJXCWKRQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420
[1-(4-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105217864
[1-(5-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105280097
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 115782250) is 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2ccc(Cl)cc2OC)cc1F.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is SUJRXPHJXCWKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-20-15-6-3-10(7-13(15)18)8-14(19)12-5-4-11(17)9-16(12)21-2/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 310.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 115782250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).