1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol

C16H16BrFO — CID 105113659

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO/c1-11-4-2-3-5-12(11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10,16,19H,6,9H2,1H3
InChIKeyJPNHCFSMBDUCOH-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.56
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol

1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105113659) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105113659
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO/c1-11-4-2-3-5-12(11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10,16,19H,6,9H2,1H3
InChIKeyJPNHCFSMBDUCOH-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
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1-(5-bromo-2-fluorophenyl)-2-chloroethanol
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1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
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CID 106866248

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol (CID 105113659) is 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CCC(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is JPNHCFSMBDUCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11-4-2-3-5-12(11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10,16,19H,6,9H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol?
1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 323.21 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105113659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).