2-[3-(2-bromoethyl)phenyl]ethanol

C10H13BrO — CID 58168543

IUPAC2-[3-(2-bromoethyl)phenyl]ethanol
SMILESOCCc1cccc(CCBr)c1
InChIInChI=1S/C10H13BrO/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8,12H,4-7H2
InChIKeyAQHLULSSIXWRHQ-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.16
Rot. Bonds4

About 2-[3-(2-bromoethyl)phenyl]ethanol

2-[3-(2-bromoethyl)phenyl]ethanol (PubChem CID 58168543) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-[3-(2-bromoethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-bromoethyl)phenyl]ethanol
PubChem CID58168543
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-[3-(2-bromoethyl)phenyl]ethanol
SMILESOCCc1cccc(CCBr)c1
InChIInChI=1S/C10H13BrO/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8,12H,4-7H2
InChIKeyAQHLULSSIXWRHQ-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(2-bromoethyl)phenyl]methanol
CID 86049063
2-(3-bromophenyl)ethanol
CID 2734090
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
[3-(2-bromoethyl)phenyl]methanesulfinic acid
CID 174526773
2-(3-iodophenyl)ethanol
CID 15169850
bis[3-(2-bromoethyl)phenyl]methanone
CID 175893594
2-(3-pentylphenyl)ethanol
CID 163236984
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
2-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117305725

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoethyl)phenyl]ethanol?
The IUPAC name of 2-[3-(2-bromoethyl)phenyl]ethanol (CID 58168543) is 2-[3-(2-bromoethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(2-bromoethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(2-bromoethyl)phenyl]ethanol is OCCc1cccc(CCBr)c1.
What is the InChIKey of 2-[3-(2-bromoethyl)phenyl]ethanol?
The InChIKey is AQHLULSSIXWRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8,12H,4-7H2.
What are the key properties of 2-[3-(2-bromoethyl)phenyl]ethanol?
2-[3-(2-bromoethyl)phenyl]ethanol has a molecular weight of 229.12 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoethyl)phenyl]ethanol is sourced from PubChem (CID 58168543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).