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

C16H16BrFO2 — CID 115833056

IUPAC(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFO2/c1-2-9-20-15-6-4-3-5-12(15)16(19)13-10-11(18)7-8-14(13)17/h3-8,10,16,19H,2,9H2,1H3
InChIKeyIXSMYADRFHFSFQ-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.46
Rot. Bonds5

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

(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol (PubChem CID 115833056) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
PubChem CID115833056
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFO2/c1-2-9-20-15-6-4-3-5-12(15)16(19)13-10-11(18)7-8-14(13)17/h3-8,10,16,19H,2,9H2,1H3
InChIKeyIXSMYADRFHFSFQ-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

(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
CID 104658570
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
1-(2-propoxyphenyl)ethanol
CID 43503976
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol (CID 115833056) is (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
The InChIKey is IXSMYADRFHFSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-9-20-15-6-4-3-5-12(15)16(19)13-10-11(18)7-8-14(13)17/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol?
(2-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 (2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 115833056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).