2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone

C15H18Cl2O2 — CID 103450231

IUPAC2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1
InChIInChI=1S/C15H18Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,19H,1-4,8-10H2
InChIKeyNWBSBVORHVPOSD-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.19
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone

2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone (PubChem CID 103450231) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
PubChem CID103450231
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1
InChIInChI=1S/C15H18Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,19H,1-4,8-10H2
InChIKeyNWBSBVORHVPOSD-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dichlorophenylacetic acid
CID 81058
3-(2,4-Dichlorophenyl)propanoic acid
CID 2740915
6-(2-Chlorophenyl)-2,4-dioxo-hexanoic acid
CID 489979
3-(2,6-dichlorophenyl)propanoic Acid
CID 2758192
4-(2-Chlorophenyl)-2-oxobutanoic acid
CID 19827398
3-(2,6-Dichlorophenyl)butanoic acid
CID 83389226
1-(4-Chlorophenyl)-3-hydroxyacetone
CID 12071752
2-[(2,6-Dichlorophenyl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione
CID 172443294
2-Chloro-alpha-oxobenzenepropanoic acid
CID 10442738
3-(2-Chloro-6-fluorophenyl)-2-oxopropanoic acid
CID 16789311
1-(2-Chloro-4-fluorophenyl)-3-hydroxypropan-2-one
CID 172338183
Ethanone, 1-(1-hydroxycycloheptyl)-2-phenyl-
CID 12060769

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone (CID 103450231) is 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
The InChIKey is NWBSBVORHVPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,19H,1-4,8-10H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone?
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone has a molecular weight of 301.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone is sourced from PubChem (CID 103450231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).