1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol

C16H16ClFO2 — CID 114854536

IUPAC1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFO2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14,19H,8-9H2,1H3
InChIKeyWYXYLTYIAGYNKB-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol

1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol (PubChem CID 114854536) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
PubChem CID114854536
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFO2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14,19H,8-9H2,1H3
InChIKeyWYXYLTYIAGYNKB-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol (CID 114854536) is 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol is COc1ccccc1CC(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol?
The InChIKey is WYXYLTYIAGYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14,19H,8-9H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol?
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol has a molecular weight of 294.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114854536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).