2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone

C15H18ClFO2 — CID 114012649

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H18ClFO2/c16-12-6-5-11(9-13(12)17)10-14(18)15(19)7-3-1-2-4-8-15/h5-6,9,19H,1-4,7-8,10H2
InChIKeyIWSYEEAWYRVAKW-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone

2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone (PubChem CID 114012649) has the molecular formula C15H18ClFO2 and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
PubChem CID114012649
Molecular FormulaC15H18ClFO2
Molecular Weight284.76 g/mol
Exact Mass284.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H18ClFO2/c16-12-6-5-11(9-13(12)17)10-14(18)15(19)7-3-1-2-4-8-15/h5-6,9,19H,1-4,7-8,10H2
InChIKeyIWSYEEAWYRVAKW-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447608
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
2-(4-chloro-3-fluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 107890031
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 166235429
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
2-(4-tert-butylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450069

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone (CID 114012649) is 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone is O=C(Cc1ccc(Cl)c(F)c1)C1(O)CCCCCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The InChIKey is IWSYEEAWYRVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO2/c16-12-6-5-11(9-13(12)17)10-14(18)15(19)7-3-1-2-4-8-15/h5-6,9,19H,1-4,7-8,10H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone has a molecular weight of 284.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone is sourced from PubChem (CID 114012649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).