1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol

C16H22ClFO — CID 115831211

IUPAC1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1cccc(F)c1Cl)CC1CCCCCC1
InChIInChI=1S/C16H22ClFO/c17-16-13(8-5-9-15(16)18)11-14(19)10-12-6-3-1-2-4-7-12/h5,8-9,12,14,19H,1-4,6-7,10-11H2
InChIKeyNHIINVODKYBIOM-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.74
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol

1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol (PubChem CID 115831211) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
PubChem CID115831211
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1cccc(F)c1Cl)CC1CCCCCC1
InChIInChI=1S/C16H22ClFO/c17-16-13(8-5-9-15(16)18)11-14(19)10-12-6-3-1-2-4-7-12/h5,8-9,12,14,19H,1-4,6-7,10-11H2
InChIKeyNHIINVODKYBIOM-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
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1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
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1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
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2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
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1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
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2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol (CID 115831211) is 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol is OC(Cc1cccc(F)c1Cl)CC1CCCCCC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol?
The InChIKey is NHIINVODKYBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c17-16-13(8-5-9-15(16)18)11-14(19)10-12-6-3-1-2-4-7-12/h5,8-9,12,14,19H,1-4,6-7,10-11H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol has a molecular weight of 284.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol is sourced from PubChem (CID 115831211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).