1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol

C15H13BrClFO2 — CID 62074774

IUPAC1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-9(19)13-7-12(17)4-5-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyITYGXMUXNXNYOS-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.87
Rot. Bonds4

About 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol

1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol (PubChem CID 62074774) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
PubChem CID62074774
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-9(19)13-7-12(17)4-5-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyITYGXMUXNXNYOS-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol?
The IUPAC name of 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol (CID 62074774) is 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol?
The canonical SMILES for 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol is CC(O)c1cc(Cl)ccc1OCc1ccc(Br)cc1F.
What is the InChIKey of 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol?
The InChIKey is ITYGXMUXNXNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-9(19)13-7-12(17)4-5-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol?
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol is sourced from PubChem (CID 62074774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).