1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol

C17H24ClFO — CID 65090912

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFO/c1-2-5-13-6-4-10-17(20,11-9-13)12-14-15(18)7-3-8-16(14)19/h3,7-8,13,20H,2,4-6,9-12H2,1H3
InChIKeyLZBLTYAOKQLBED-UHFFFAOYSA-N
MW298.83 g/mol
LogP5.13
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol

1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 65090912) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
PubChem CID65090912
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFO/c1-2-5-13-6-4-10-17(20,11-9-13)12-14-15(18)7-3-8-16(14)19/h3,7-8,13,20H,2,4-6,9-12H2,1H3
InChIKeyLZBLTYAOKQLBED-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.83
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol (CID 65090912) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is LZBLTYAOKQLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-2-5-13-6-4-10-17(20,11-9-13)12-14-15(18)7-3-8-16(14)19/h3,7-8,13,20H,2,4-6,9-12H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol?
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 298.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).