(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol

C16H16BrFO — CID 116542467

IUPAC(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16,19H,2,4H2,1H3
InChIKeyRUJQXKJFCHUHOI-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.62
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol

(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol (PubChem CID 116542467) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
PubChem CID116542467
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16,19H,2,4H2,1H3
InChIKeyRUJQXKJFCHUHOI-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
[(4-bromo-2-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340454

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol (CID 116542467) is (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ccc(Br)cc2F)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The InChIKey is RUJQXKJFCHUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16,19H,2,4H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116542467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).