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

C17H19BrO2 — CID 78944614

IUPAC(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(C)c(COc2ccc(Br)cc2[C@H](C)O)c1
InChIInChI=1S/C17H19BrO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1
InChIKeyAJQIHEHOUVVHMV-ZDUSSCGKSA-N
MW335.24 g/mol
LogP4.70
Rot. Bonds4

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

(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 78944614) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
PubChem CID78944614
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(C)c(COc2ccc(Br)cc2[C@H](C)O)c1
InChIInChI=1S/C17H19BrO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1
InChIKeyAJQIHEHOUVVHMV-ZDUSSCGKSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol (CID 78944614) is (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol is Cc1ccc(C)c(COc2ccc(Br)cc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is AJQIHEHOUVVHMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol has a molecular weight of 335.24 g/mol, XLogP of 4.70, 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-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78944614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).