2-(3-bromophenyl)ethanol

C8H9BrO — CID 2734090

IUPAC2-(3-bromophenyl)ethanol
SMILESOCCc1cccc(Br)c1
InChIInChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKeyPTTFLKHCSZSFOL-UHFFFAOYSA-N
MW201.06 g/mol
LogP1.98
Rot. Bonds2

About 2-(3-bromophenyl)ethanol

2-(3-bromophenyl)ethanol (PubChem CID 2734090) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 2-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)ethanol
PubChem CID2734090
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name2-(3-bromophenyl)ethanol
SMILESOCCc1cccc(Br)c1
InChIInChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKeyPTTFLKHCSZSFOL-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
N-[2-(3-bromophenyl)ethyl]hydroxylamine
CID 105469369
1-bromo-3-tert-butylbenzene;2-(3-tert-butylphenyl)ethanol;oxirane
CID 159823791
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
2-(3-iodophenyl)ethanol
CID 15169850
1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)ethanol (CID 2734090) is 2-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)ethanol is OCCc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)ethanol?
The InChIKey is PTTFLKHCSZSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2.
What are the key properties of 2-(3-bromophenyl)ethanol?
2-(3-bromophenyl)ethanol has a molecular weight of 201.06 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)ethanol is sourced from PubChem (CID 2734090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).