(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol

C11H14BrClO2 — CID 129411004

IUPAC(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
SMILESCCOc1c([C@H](C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3/t7-/m0/s1
InChIKeyCROGGKFGGAYLEQ-ZETCQYMHSA-N
MW293.59 g/mol
LogP3.86
Rot. Bonds3

About (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol

(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol (PubChem CID 129411004) has the molecular formula C11H14BrClO2 and a molecular weight of 293.59 g/mol. Its IUPAC name is (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
PubChem CID129411004
Molecular FormulaC11H14BrClO2
Molecular Weight293.59 g/mol
Exact Mass291.99
IUPAC Name(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
SMILESCCOc1c([C@H](C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3/t7-/m0/s1
InChIKeyCROGGKFGGAYLEQ-ZETCQYMHSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-chloro-3-ethoxy-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 129410988
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
CID 86677773
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
3-[5-chloro-3-(1-chloroethyl)-2-ethoxy-6-methylphenyl]azetidine
CID 141364808
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate
CID 171745610
5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
CID 83941281
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The IUPAC name of (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol (CID 129411004) is (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol is CCOc1c([C@H](C)O)cc(Cl)c(C)c1Br.
What is the InChIKey of (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The InChIKey is CROGGKFGGAYLEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol has a molecular weight of 293.59 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 129411004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).