2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol

C15H13BrClFO — CID 103047480

IUPAC2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-12(16)8-11)9-10-7-13(17)5-6-14(10)18/h2-8,19H,9H2,1H3
InChIKeyUDTSDFWBZPKQIE-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.69
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol

2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 103047480) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
PubChem CID103047480
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-12(16)8-11)9-10-7-13(17)5-6-14(10)18/h2-8,19H,9H2,1H3
InChIKeyUDTSDFWBZPKQIE-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-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
1-(5-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65145030
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(2-bromophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 60797682
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
4-[1-(5-chloro-2-fluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 103047735
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 114851769
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 65144721
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol (CID 103047480) is 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol is CC(O)(Cc1cc(Cl)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is UDTSDFWBZPKQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-12(16)8-11)9-10-7-13(17)5-6-14(10)18/h2-8,19H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol?
2-(3-bromophenyl)-1-(5-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-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 103047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).