2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol

C15H13BrClFO — CID 102856814

IUPAC2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1F)c1ccccc1Br
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(17)14(10)18/h2-8,19H,9H2,1H3
InChIKeyCEOFWAORFQRMNA-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.69
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol

2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 102856814) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
PubChem CID102856814
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1F)c1ccccc1Br
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(17)14(10)18/h2-8,19H,9H2,1H3
InChIKeyCEOFWAORFQRMNA-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864007
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
4-[(3-chloro-2-fluorophenyl)methyl]heptan-4-ol
CID 102857067
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol (CID 102856814) is 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol is CC(O)(Cc1cccc(Cl)c1F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is CEOFWAORFQRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(17)14(10)18/h2-8,19H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol?
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol has a molecular weight of 343.62 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 102856814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).