2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol

C15H14BrClO2 — CID 59557784

IUPAC2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO2/c16-13-3-6-15(17)12(10-13)9-11-1-4-14(5-2-11)19-8-7-18/h1-6,10,18H,7-9H2
InChIKeySYHDFFSSMKAAJM-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol

2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol (PubChem CID 59557784) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
PubChem CID59557784
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO2/c16-13-3-6-15(17)12(10-13)9-11-1-4-14(5-2-11)19-8-7-18/h1-6,10,18H,7-9H2
InChIKeySYHDFFSSMKAAJM-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-chloro-2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]benzene
CID 59557755
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CID 66875668
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
CID 59557756
4-bromo-1-chloro-2-[[4-(2-ethenoxypropoxy)phenyl]methyl]benzene
CID 59557786
2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
CID 164757819
4-bromo-2-[(4-butoxyphenyl)methyl]-1-methylbenzene
CID 90183082
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
CID 123745786
2-[4-[2-(4-bromo-2-ethylphenyl)ethynyl]phenoxy]ethanol
CID 18751421
2,2-dibromo-1-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]cyclopropan-1-ol
CID 90920518
CID 162335780
CID 162335780
2-[4-[[5-[[4-(2-hydroperoxyethoxy)phenyl]methyl]-2-(2-hydroxyethoxy)phenyl]methyl]phenoxy]ethanol
CID 176586407

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol (CID 59557784) is 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol is OCCOc1ccc(Cc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol?
The InChIKey is SYHDFFSSMKAAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-13-3-6-15(17)12(10-13)9-11-1-4-14(5-2-11)19-8-7-18/h1-6,10,18H,7-9H2.
What are the key properties of 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol?
2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol has a molecular weight of 341.63 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol is sourced from PubChem (CID 59557784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).