1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol

C16H15BrClFO2 — CID 63035597

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15BrClFO2/c1-21-16-5-3-12(17)6-11(16)8-14(20)7-10-2-4-13(19)9-15(10)18/h2-6,9,14,20H,7-8H2,1H3
InChIKeyARPZSUOAFPZNFQ-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.40
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol

1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol (PubChem CID 63035597) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
PubChem CID63035597
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15BrClFO2/c1-21-16-5-3-12(17)6-11(16)8-14(20)7-10-2-4-13(19)9-15(10)18/h2-6,9,14,20H,7-8H2,1H3
InChIKeyARPZSUOAFPZNFQ-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol (CID 63035597) is 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol is COc1ccc(Br)cc1CC(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
The InChIKey is ARPZSUOAFPZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c1-21-16-5-3-12(17)6-11(16)8-14(20)7-10-2-4-13(19)9-15(10)18/h2-6,9,14,20H,7-8H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol?
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol has a molecular weight of 373.65 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 63035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).