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

C15H13Br2ClO2 — CID 104862353

IUPAC(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyVOFDXOVHPDHOOY-VIFPVBQESA-N
MW420.53 g/mol
LogP5.50
Rot. Bonds4

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

(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol (PubChem CID 104862353) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
PubChem CID104862353
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyVOFDXOVHPDHOOY-VIFPVBQESA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-bromo-2-(1-hydroxyethyl)phenoxy]methyl]-3-chlorobenzonitrile
CID 102668663
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(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-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol (CID 104862353) is (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Br)ccc1OCc1ccc(Br)cc1Cl.
What is the InChIKey of (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The InChIKey is VOFDXOVHPDHOOY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol has a molecular weight of 420.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 104862353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).