1-(3-bromo-5-ethylphenyl)ethanol

C10H13BrO — CID 84692416

IUPAC1-(3-bromo-5-ethylphenyl)ethanol
SMILESCCc1cc(Br)cc(C(C)O)c1
InChIInChI=1S/C10H13BrO/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7,12H,3H2,1-2H3
InChIKeyGVRWCNRCJRYFGR-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-bromo-5-ethylphenyl)ethanol

1-(3-bromo-5-ethylphenyl)ethanol (PubChem CID 84692416) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-(3-bromo-5-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-ethylphenyl)ethanol
PubChem CID84692416
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-(3-bromo-5-ethylphenyl)ethanol
SMILESCCc1cc(Br)cc(C(C)O)c1
InChIInChI=1S/C10H13BrO/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7,12H,3H2,1-2H3
InChIKeyGVRWCNRCJRYFGR-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
2-amino-1-(3-bromo-5-ethylphenyl)ethanol
CID 84704335
2-(3-bromo-5-ethylphenyl)propanal
CID 134639873
ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate
CID 117463051
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572
1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
CID 107978546
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
CID 144547403
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-ethylphenyl)ethanol (CID 84692416) is 1-(3-bromo-5-ethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-ethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-ethylphenyl)ethanol is CCc1cc(Br)cc(C(C)O)c1.
What is the InChIKey of 1-(3-bromo-5-ethylphenyl)ethanol?
The InChIKey is GVRWCNRCJRYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7,12H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethylphenyl)ethanol?
1-(3-bromo-5-ethylphenyl)ethanol has a molecular weight of 229.12 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethylphenyl)ethanol is sourced from PubChem (CID 84692416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).