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

C14H20BrFO — CID 82988198

IUPAC1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFO/c1-3-5-10(6-4-2)14(17)11-7-8-13(16)12(15)9-11/h7-10,14,17H,3-6H2,1-2H3
InChIKeyKRWDJUUPXDOWLH-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.84
Rot. Bonds6

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

1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol (PubChem CID 82988198) has the molecular formula C14H20BrFO and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol
PubChem CID82988198
Molecular FormulaC14H20BrFO
Molecular Weight303.21 g/mol
Exact Mass302.07
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFO/c1-3-5-10(6-4-2)14(17)11-7-8-13(16)12(15)9-11/h7-10,14,17H,3-6H2,1-2H3
InChIKeyKRWDJUUPXDOWLH-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82983946
1-(3-bromo-4-fluorophenyl)-3-methylhexan-1-ol
CID 65147954
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
2-[(3-bromo-4-fluorophenyl)-hydroxymethyl]butanenitrile
CID 79137352
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
1-(3-bromo-4-fluorophenyl)-2-(ethylamino)ethanol
CID 62774882
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol (CID 82988198) is 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol?
The InChIKey is KRWDJUUPXDOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFO/c1-3-5-10(6-4-2)14(17)11-7-8-13(16)12(15)9-11/h7-10,14,17H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol?
1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol has a molecular weight of 303.21 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-propylpentan-1-ol is sourced from PubChem (CID 82988198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).