2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate

C10H10BrClO3 — CID 142764458

IUPAC2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C10H10BrClO3/c1-6(13)15-3-2-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3
InChIKeyYLOMDEQWWAEEQJ-UHFFFAOYSA-N
MW293.54 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate

2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate (PubChem CID 142764458) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate
PubChem CID142764458
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C10H10BrClO3/c1-6(13)15-3-2-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3
InChIKeyYLOMDEQWWAEEQJ-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
2-(5-bromo-6-chloro-3-pyridinyl)ethyl acetate
CID 151740003
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
CID 154694821
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694
2-phenylethyl acetate
CID 7654
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 22112154
acetic acid;2-phenylethyl acetate
CID 174791962
2-[3,5-dibromo-4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate
CID 23526031
2-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethyl acetate
CID 59834451
O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117475178

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate?
The IUPAC name of 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate (CID 142764458) is 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate.
What is the SMILES notation for 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate?
The canonical SMILES for 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate is CC(=O)OCCc1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate?
The InChIKey is YLOMDEQWWAEEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-6(13)15-3-2-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate?
2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate has a molecular weight of 293.54 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-4-hydroxyphenyl)ethyl acetate is sourced from PubChem (CID 142764458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).