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

C15H13Br2ClO2 — CID 102948801

IUPAC(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyLTAJSBAJWIFJIU-SECBINFHSA-N
MW420.53 g/mol
LogP5.50
Rot. Bonds4

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

(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol (PubChem CID 102948801) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
PubChem CID102948801
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyLTAJSBAJWIFJIU-SECBINFHSA-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

(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
4-[[4-bromo-2-(1-hydroxyethyl)phenoxy]methyl]-3-chlorobenzonitrile
CID 102668663
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
4-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3-methylbenzonitrile
CID 102949255
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol (CID 102948801) is (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCc1ccc(Br)cc1Cl.
What is the InChIKey of (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
The InChIKey is LTAJSBAJWIFJIU-SECBINFHSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol?
(1R)-1-[4-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 (1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).