2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane

C12H19BrO2 — CID 162439412

IUPAC2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
SMILESCC.OCCc1cc(Br)cc(CCO)c1
InChIInChI=1S/C10H13BrO2.C2H6/c11-10-6-8(1-3-12)5-9(7-10)2-4-13;1-2/h5-7,12-13H,1-4H2;1-2H3
InChIKeyKCXXSOIBYPGYSL-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane

2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane (PubChem CID 162439412) has the molecular formula C12H19BrO2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane.

Molecular Properties

Compound Name2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
PubChem CID162439412
Molecular FormulaC12H19BrO2
Molecular Weight275.19 g/mol
Exact Mass274.06
IUPAC Name2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
SMILESCC.OCCc1cc(Br)cc(CCO)c1
InChIInChI=1S/C10H13BrO2.C2H6/c11-10-6-8(1-3-12)5-9(7-10)2-4-13;1-2/h5-7,12-13H,1-4H2;1-2H3
InChIKeyKCXXSOIBYPGYSL-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
CID 117354295
(3,5-dibromophenyl)methanol;ethane
CID 144557111
2-(3-bromophenyl)ethanol
CID 2734090
acetonitrile;2-(4-bromophenyl)ethanol;ethane
CID 162439608
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
CID 144566079
3-[3-bromo-5-(bromomethyl)phenyl]propanal
CID 131596322
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
1-bromo-3-(2-bromoethyl)-5-chlorobenzene
CID 174607155
methyl 2-[3-bromo-5-(3-bromo-2-oxopropyl)phenyl]acetate
CID 134634942
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
1,3-dibromo-5-(3-iodopropyl)benzene
CID 22613629

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane?
The IUPAC name of 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane (CID 162439412) is 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane.
What is the SMILES notation for 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane?
The canonical SMILES for 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane is CC.OCCc1cc(Br)cc(CCO)c1.
What is the InChIKey of 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane?
The InChIKey is KCXXSOIBYPGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2.C2H6/c11-10-6-8(1-3-12)5-9(7-10)2-4-13;1-2/h5-7,12-13H,1-4H2;1-2H3.
What are the key properties of 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane?
2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane has a molecular weight of 275.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane is sourced from PubChem (CID 162439412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).