1-(3-bromophenyl)octan-2-ol

C14H21BrO — CID 63411241

IUPAC1-(3-bromophenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-2-3-4-5-9-14(16)11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,2-5,9,11H2,1H3
InChIKeyPTEIFWXGXQCURL-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.32
Rot. Bonds7

About 1-(3-bromophenyl)octan-2-ol

1-(3-bromophenyl)octan-2-ol (PubChem CID 63411241) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)octan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)octan-2-ol
PubChem CID63411241
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-(3-bromophenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-2-3-4-5-9-14(16)11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,2-5,9,11H2,1H3
InChIKeyPTEIFWXGXQCURL-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
1-(3-bromophenyl)-4-ethoxybutan-2-ol
CID 62607821
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
CID 173065274
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)octan-2-ol?
The IUPAC name of 1-(3-bromophenyl)octan-2-ol (CID 63411241) is 1-(3-bromophenyl)octan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)octan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)octan-2-ol is CCCCCCC(O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)octan-2-ol?
The InChIKey is PTEIFWXGXQCURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-2-3-4-5-9-14(16)11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,2-5,9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)octan-2-ol?
1-(3-bromophenyl)octan-2-ol has a molecular weight of 285.22 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)octan-2-ol is sourced from PubChem (CID 63411241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).