1-(3-bromophenyl)butan-1-ol

C10H13BrO — CID 18417756

IUPAC1-(3-bromophenyl)butan-1-ol
SMILESCCCC(O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10,12H,2,4H2,1H3
InChIKeyAGCGZPRKKYCHPL-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-bromophenyl)butan-1-ol

1-(3-bromophenyl)butan-1-ol (PubChem CID 18417756) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)butan-1-ol
PubChem CID18417756
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-(3-bromophenyl)butan-1-ol
SMILESCCCC(O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10,12H,2,4H2,1H3
InChIKeyAGCGZPRKKYCHPL-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
(1S)-1-(3-methylsulfanylphenyl)butan-1-ol
CID 97293427

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)butan-1-ol?
The IUPAC name of 1-(3-bromophenyl)butan-1-ol (CID 18417756) is 1-(3-bromophenyl)butan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)butan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)butan-1-ol is CCCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)butan-1-ol?
The InChIKey is AGCGZPRKKYCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10,12H,2,4H2,1H3.
What are the key properties of 1-(3-bromophenyl)butan-1-ol?
1-(3-bromophenyl)butan-1-ol has a molecular weight of 229.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)butan-1-ol is sourced from PubChem (CID 18417756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).