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

C16H17BrO3 — CID 65323216

IUPAC(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(Br)c(COc2ccccc2[C@H](C)O)c1
InChIInChI=1S/C16H17BrO3/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(19-2)7-8-15(12)17/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyUNIFIAPUIOKEFQ-NSHDSACASA-N
MW337.21 g/mol
LogP4.09
Rot. Bonds5

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

(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 65323216) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID65323216
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(Br)c(COc2ccccc2[C@H](C)O)c1
InChIInChI=1S/C16H17BrO3/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(19-2)7-8-15(12)17/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyUNIFIAPUIOKEFQ-NSHDSACASA-N
XLogP4.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-[3-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323262
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267977
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol (CID 65323216) is (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(Br)c(COc2ccccc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is UNIFIAPUIOKEFQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H17BrO3/c1-11(18)14-5-3-4-6-16(14)20-10-12-9-13(19-2)7-8-15(12)17/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol?
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 65323216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).