1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol

C11H12BrClO2 — CID 102948397

IUPAC1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C11H12BrClO2/c1-7(13)6-15-11-5-9(12)3-4-10(11)8(2)14/h3-5,8,14H,1,6H2,2H3
InChIKeyORQNNRKYGHVFAI-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol

1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol (PubChem CID 102948397) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
PubChem CID102948397
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C11H12BrClO2/c1-7(13)6-15-11-5-9(12)3-4-10(11)8(2)14/h3-5,8,14H,1,6H2,2H3
InChIKeyORQNNRKYGHVFAI-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
CID 43505392
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
CID 102948305
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol (CID 102948397) is 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol is C=C(Cl)COc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol?
The InChIKey is ORQNNRKYGHVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-7(13)6-15-11-5-9(12)3-4-10(11)8(2)14/h3-5,8,14H,1,6H2,2H3.
What are the key properties of 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol?
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol has a molecular weight of 291.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 102948397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).