[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol

C16H16BrFO3 — CID 79698175

IUPAC[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-8,19H,2,9-10H2,1H3
InChIKeyBJRFLQCJIMSMQQ-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.06
Rot. Bonds6

About [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol

[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (PubChem CID 79698175) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
PubChem CID79698175
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-8,19H,2,9-10H2,1H3
InChIKeyBJRFLQCJIMSMQQ-UHFFFAOYSA-N
XLogP4.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
[2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 79706071
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The IUPAC name of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (CID 79698175) is [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.
What is the SMILES notation for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The canonical SMILES for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol is CCOc1cc(CO)ccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The InChIKey is BJRFLQCJIMSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol has a molecular weight of 355.20 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol is sourced from PubChem (CID 79698175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).