4-(2,5-dichlorophenyl)azepan-4-ol

C12H15Cl2NO — CID 103982873

IUPAC4-(2,5-dichlorophenyl)azepan-4-ol
SMILESOC1(c2cc(Cl)ccc2Cl)CCCNCC1
InChIInChI=1S/C12H15Cl2NO/c13-9-2-3-11(14)10(8-9)12(16)4-1-6-15-7-5-12/h2-3,8,15-16H,1,4-7H2
InChIKeyNMJQINQUQHORNG-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds1

About 4-(2,5-dichlorophenyl)azepan-4-ol

4-(2,5-dichlorophenyl)azepan-4-ol (PubChem CID 103982873) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)azepan-4-ol.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)azepan-4-ol
PubChem CID103982873
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name4-(2,5-dichlorophenyl)azepan-4-ol
SMILESOC1(c2cc(Cl)ccc2Cl)CCCNCC1
InChIInChI=1S/C12H15Cl2NO/c13-9-2-3-11(14)10(8-9)12(16)4-1-6-15-7-5-12/h2-3,8,15-16H,1,4-7H2
InChIKeyNMJQINQUQHORNG-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
3-(2-chloro-5-fluorophenyl)piperidin-3-ol
CID 112703723
3-(2-bromo-5-chlorophenyl)piperidin-3-ol
CID 117103863
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980
3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
CID 117103942
4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol
CID 174551834
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
4-(5-fluoro-2-methylphenyl)azepan-4-ol
CID 103982874
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
4-[2-methyl-4-(trifluoromethyl)phenyl]azepan-4-ol
CID 102751913
4-(2-amino-3-chlorophenyl)piperidin-4-ol
CID 117103771
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)azepan-4-ol?
The IUPAC name of 4-(2,5-dichlorophenyl)azepan-4-ol (CID 103982873) is 4-(2,5-dichlorophenyl)azepan-4-ol.
What is the SMILES notation for 4-(2,5-dichlorophenyl)azepan-4-ol?
The canonical SMILES for 4-(2,5-dichlorophenyl)azepan-4-ol is OC1(c2cc(Cl)ccc2Cl)CCCNCC1.
What is the InChIKey of 4-(2,5-dichlorophenyl)azepan-4-ol?
The InChIKey is NMJQINQUQHORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-9-2-3-11(14)10(8-9)12(16)4-1-6-15-7-5-12/h2-3,8,15-16H,1,4-7H2.
What are the key properties of 4-(2,5-dichlorophenyl)azepan-4-ol?
4-(2,5-dichlorophenyl)azepan-4-ol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)azepan-4-ol is sourced from PubChem (CID 103982873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).