1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol

C16H17BrO2 — CID 63651626

IUPAC1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3
InChIKeyLAUDMOTUHKWKPJ-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol

1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol (PubChem CID 63651626) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
PubChem CID63651626
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3
InChIKeyLAUDMOTUHKWKPJ-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]benzonitrile
CID 78947136
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanol
CID 63650431
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
3-[[5-bromo-2-(1-hydroxyethyl)phenoxy]methyl]benzonitrile
CID 102948224
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol (CID 63651626) is 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol is Cc1ccc(C(C)O)c(OCc2cccc(Br)c2)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is LAUDMOTUHKWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol?
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 63651626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).