1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol

C17H24BrFO — CID 65151861

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccc(Br)cc2F)CC1
InChIInChI=1S/C17H24BrFO/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)11-16(14)19/h6-7,11,13,20H,2-5,8-10,12H2,1H3
InChIKeyBZOFPPXQZSCSSV-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.24
Rot. Bonds4

About 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol

1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 65151861) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
PubChem CID65151861
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccc(Br)cc2F)CC1
InChIInChI=1S/C17H24BrFO/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)11-16(14)19/h6-7,11,13,20H,2-5,8-10,12H2,1H3
InChIKeyBZOFPPXQZSCSSV-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
1-[(5-bromo-2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423876

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol (CID 65151861) is 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is BZOFPPXQZSCSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-2-4-13-5-3-9-17(20,10-8-13)12-14-6-7-15(18)11-16(14)19/h6-7,11,13,20H,2-5,8-10,12H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 343.28 g/mol, XLogP of 5.24, 4 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)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).