3-(2,5-dichlorophenyl)cycloheptan-1-ol

C13H16Cl2O — CID 64513926

IUPAC3-(2,5-dichlorophenyl)cycloheptan-1-ol
SMILESOC1CCCCC(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2O/c14-10-5-6-13(15)12(8-10)9-3-1-2-4-11(16)7-9/h5-6,8-9,11,16H,1-4,7H2
InChIKeyVPLGEVYBSCQALW-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.40
Rot. Bonds1

About 3-(2,5-dichlorophenyl)cycloheptan-1-ol

3-(2,5-dichlorophenyl)cycloheptan-1-ol (PubChem CID 64513926) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)cycloheptan-1-ol
PubChem CID64513926
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name3-(2,5-dichlorophenyl)cycloheptan-1-ol
SMILESOC1CCCCC(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2O/c14-10-5-6-13(15)12(8-10)9-3-1-2-4-11(16)7-9/h5-6,8-9,11,16H,1-4,7H2
InChIKeyVPLGEVYBSCQALW-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)cycloheptan-1-ol?
The IUPAC name of 3-(2,5-dichlorophenyl)cycloheptan-1-ol (CID 64513926) is 3-(2,5-dichlorophenyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2,5-dichlorophenyl)cycloheptan-1-ol?
The canonical SMILES for 3-(2,5-dichlorophenyl)cycloheptan-1-ol is OC1CCCCC(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-(2,5-dichlorophenyl)cycloheptan-1-ol?
The InChIKey is VPLGEVYBSCQALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c14-10-5-6-13(15)12(8-10)9-3-1-2-4-11(16)7-9/h5-6,8-9,11,16H,1-4,7H2.
What are the key properties of 3-(2,5-dichlorophenyl)cycloheptan-1-ol?
3-(2,5-dichlorophenyl)cycloheptan-1-ol has a molecular weight of 259.18 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)cycloheptan-1-ol is sourced from PubChem (CID 64513926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).