2-(3-bromophenyl)pentan-3-ol

C11H15BrO — CID 79298699

IUPAC2-(3-bromophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c1-3-11(13)8(2)9-5-4-6-10(12)7-9/h4-8,11,13H,3H2,1-2H3
InChIKeyYEIOSRXVUKGZLK-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-bromophenyl)pentan-3-ol

2-(3-bromophenyl)pentan-3-ol (PubChem CID 79298699) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)pentan-3-ol
PubChem CID79298699
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-(3-bromophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c1-3-11(13)8(2)9-5-4-6-10(12)7-9/h4-8,11,13H,3H2,1-2H3
InChIKeyYEIOSRXVUKGZLK-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-methylpentan-3-amine
CID 79307668
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
1-(3-bromophenyl)butan-1-ol
CID 18417756
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
(3-bromophenyl)-ethoxymethanol
CID 142187361
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
(3-bromophenyl)-ethoxyphosphanylmethanol
CID 70811233
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pentan-3-ol?
The IUPAC name of 2-(3-bromophenyl)pentan-3-ol (CID 79298699) is 2-(3-bromophenyl)pentan-3-ol.
What is the SMILES notation for 2-(3-bromophenyl)pentan-3-ol?
The canonical SMILES for 2-(3-bromophenyl)pentan-3-ol is CCC(O)C(C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)pentan-3-ol?
The InChIKey is YEIOSRXVUKGZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-3-11(13)8(2)9-5-4-6-10(12)7-9/h4-8,11,13H,3H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)pentan-3-ol?
2-(3-bromophenyl)pentan-3-ol has a molecular weight of 243.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pentan-3-ol is sourced from PubChem (CID 79298699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).