1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol

C15H22BrFO — CID 115788477

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFO/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15,18H,3-6,9H2,1-2H3
InChIKeyPFEHGPJBOQDIAG-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.71
Rot. Bonds7

About 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol

1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol (PubChem CID 115788477) has the molecular formula C15H22BrFO and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
PubChem CID115788477
Molecular FormulaC15H22BrFO
Molecular Weight317.24 g/mol
Exact Mass316.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFO/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15,18H,3-6,9H2,1-2H3
InChIKeyPFEHGPJBOQDIAG-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
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1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
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(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
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3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524
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CID 115844761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol (CID 115788477) is 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol is CCCCC(CC)C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol?
The InChIKey is PFEHGPJBOQDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFO/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15,18H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol has a molecular weight of 317.24 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol is sourced from PubChem (CID 115788477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).