(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol

C16H16BrFO2 — CID 104659620

IUPAC(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO2/c1-2-7-20-15-6-4-3-5-14(15)16(19)11-8-12(17)10-13(18)9-11/h3-6,8-10,16,19H,2,7H2,1H3
InChIKeyFANCHTBOBSXFOP-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.46
Rot. Bonds5

About (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol

(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol (PubChem CID 104659620) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
PubChem CID104659620
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO2/c1-2-7-20-15-6-4-3-5-14(15)16(19)11-8-12(17)10-13(18)9-11/h3-6,8-10,16,19H,2,7H2,1H3
InChIKeyFANCHTBOBSXFOP-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
CID 104658570
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
1-(2-propoxyphenyl)ethanol
CID 43503976
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol (CID 104659620) is (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The InChIKey is FANCHTBOBSXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-7-20-15-6-4-3-5-14(15)16(19)11-8-12(17)10-13(18)9-11/h3-6,8-10,16,19H,2,7H2,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol has a molecular weight of 339.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104659620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).