(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol

C16H16BrFO3 — CID 103396097

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-3-21-14-7-5-4-6-10(14)16(19)11-8-12(17)13(18)9-15(11)20-2/h4-9,16,19H,3H2,1-2H3
InChIKeyDAIWTGJNLQKDFD-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.08
Rot. Bonds5

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol (PubChem CID 103396097) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
PubChem CID103396097
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-3-21-14-7-5-4-6-10(14)16(19)11-8-12(17)13(18)9-15(11)20-2/h4-9,16,19H,3H2,1-2H3
InChIKeyDAIWTGJNLQKDFD-UHFFFAOYSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63893443
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol (CID 103396097) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)c1cc(Br)c(F)cc1OC.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol?
The InChIKey is DAIWTGJNLQKDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-3-21-14-7-5-4-6-10(14)16(19)11-8-12(17)13(18)9-15(11)20-2/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol has a molecular weight of 355.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 103396097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).