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

C16H16BrFO2 — CID 65144721

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyIPGXMIVMQIACLV-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.05
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol (PubChem CID 65144721) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
PubChem CID65144721
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyIPGXMIVMQIACLV-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 114851769
1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
1-(2-chlorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 54919291
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(5-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65145030
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(3-bromophenyl)-2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)propan-1-ol
CID 162511470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol (CID 65144721) is 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol is COc1cccc(C(C)(O)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The InChIKey is IPGXMIVMQIACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol has a molecular weight of 339.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 65144721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).